
#=======================================================================
data_global
#=======================================================================

_audit_creation_method                   'Jana2006 Version : 23/03/2015'


# 1. PROCESSING SUMMARY (IUCr Office Use Only)

_journal_date_recd_electronic            ?
_journal_date_to_coeditor                ?
_journal_date_from_coeditor              ?
_journal_date_accepted                   ?
_journal_date_printers_first             ?
_journal_date_printers_final             ?
_journal_date_proofs_out                 ?
_journal_date_proofs_in                  ?
_journal_coeditor_name                   ?
_journal_coeditor_code                   ?
_journal_coeditor_notes
; ?
;
_journal_techeditor_code                 ?
_journal_paper_category                  ?
_journal_techeditor_notes
; ?
;
_journal_coden_ASTM                      ?
_journal_name_full                       'Acta Crystallographica Section C'
_journal_year                            ?
_journal_volume                          ?
_journal_issue                           ?
_journal_page_first                      ?
_journal_page_last                       ?
_journal_suppl_publ_number               ?
_journal_suppl_publ_pages                ?

#=======================================================================

# 2. SUBMISSION DETAILS

_publ_contact_author_name                ?
_publ_contact_author_address
; ?
;
_publ_contact_author_email               ?
_publ_contact_author_fax                 ?
_publ_contact_author_phone               ?

_publ_requested_journal                  'Acta Crystallographica Section C'
_publ_requested_category                 ?

_publ_contact_letter
; ?
;

#=======================================================================

# 3. TITLE AND AUTHOR LIST

_publ_section_title
; ?
;
_publ_section_title_footnote
; ?
;
loop_
 _publ_author_name
 _publ_author_footnote
 _publ_author_address
; ?      # name
;
; ?      # footnote
;
; ?      # address
;

#=======================================================================

# 4. TEXT

_publ_section_synopsis
; ?
;
_publ_section_abstract
; ?
;
_publ_section_comment
; ?
;
_publ_section_introduction
; ?
;
_publ_section_experimental
; ?
;
_publ_section_exptl_prep
; ?
;
_publ_section_exptl_refinement
; ?
;
_publ_section_exptl_solution
; ?
;
_publ_section_discussion
; ?
;
_publ_section_acknowledgements
; ?
;
_publ_section_references
;
Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352.

Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790.

# enable this reference if Diamond ver. 2 was used for visualization
#Brandenburg, K. (1999). DIAMOND. Version. 2.1c.
#Crystal Impact GbR, Bonn, Germany.

# enable this reference if Diamond ver. 3 was used for visualization
#Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3.
#Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany.

# enable this reference if SIR97 was used for solving of the structure
#Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C.,
#Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997).
#SIR97. A Package for Crystal Structure Solution by Direct Methods
#and Refinement, Bari, Rome, Italy.

# use this reference if SIR2002 was used for solving of the structure
#Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C.,
#Polidori, G., Spagna, R.
#SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103


# use this reference if SIR2011 was used for solving of the structure
#Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano,
#G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R.
#SIR2011: a new package for crystal structure determination and refinement,
#J.Appl.Cryst. (2012) 45, 357-361

# enable this reference if bond valences were calculated
#Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480.

# enable this reference if Xshape wase used for crystal shape refinement
#Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany.


# enable this reference if Flack coefficient was refined
#Flack, H. D. (1983). Acta Cryst. A39, 876-881.
;
_publ_section_figure_captions
; ?
;
_publ_section_table_legends
; ?
;

#=======================================================================
data_I
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic
; ?
;
_chemical_name_common                    ?
_chemical_formula_moiety                 ?
_chemical_formula_structural             ?
_chemical_formula_analytical             ?
_chemical_formula_iupac                  ?
_chemical_formula_sum                    'Ca0.082 Mg0.061 Mn4.857 O15 Si5'
_chemical_formula_weight                 652
_chemical_melting_point                  ?
_chemical_compound_source                ?
_chemical_absolute_configuration         .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting                   triclinic
_symmetry_space_group_name_H-M           'P -1'
_symmetry_space_group_name_Hall          '-P 1'
_symmetry_Int_Tables_number              2

loop_
 _space_group_symop_id
 _space_group_symop_operation_xyz
 1   x,y,z
 2   -x,-y,-z

_cell_length_a                           6.6980(3)
_cell_length_b                           7.6203(3)
_cell_length_c                           11.8473(5)
_cell_angle_alpha                        105.663(3)
_cell_angle_beta                         92.400(3)
_cell_angle_gamma                        94.309(3)
_cell_volume                             579.38(4)

loop_
 _twin_individual_id
 _twin_individual_mass_fraction_refined
 _twin_individual_twin_matrix_11
 _twin_individual_twin_matrix_12
 _twin_individual_twin_matrix_13
 _twin_individual_twin_matrix_21
 _twin_individual_twin_matrix_22
 _twin_individual_twin_matrix_23
 _twin_individual_twin_matrix_31
 _twin_individual_twin_matrix_32
 _twin_individual_twin_matrix_33
 ? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z                    2

_cell_measurement_reflns_used   4625
_cell_measurement_theta_min     2.8520
_cell_measurement_theta_max     34.3480
_cell_measurement_temperature            293
_cell_special_details
; ?
;

_exptl_crystal_density_diffrn            3.7375
_exptl_crystal_density_meas              ?
_exptl_crystal_density_method            ?
_exptl_crystal_F_000                     628

_exptl_absorpt_coefficient_mu            5.807
_exptl_crystal_description                ''
_exptl_crystal_size_max                            0.2582
_exptl_crystal_size_mid                            0.2288
_exptl_crystal_size_min                            0.1405
_exptl_crystal_size_rad                  ?
_exptl_crystal_colour                    ?
_exptl_absorpt_correction_type            'gaussian'
_exptl_absorpt_process_details           ?
_exptl_absorpt_correction_T_min                     0.291
_exptl_absorpt_correction_T_max                     0.515
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
loop_
 _exptl_crystal_face_index_h
 _exptl_crystal_face_index_k
 _exptl_crystal_face_index_l
 _exptl_crystal_face_perp_dist
 ? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA
_exptl_special_details                   ?
_diffrn_source 'Enhance (Mo) X-ray Source'
_diffrn_radiation_probe 'x-ray'
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_monochromator 'graphite'
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'Xcalibur, Sapphire3'
_diffrn_detector 'CCD plate'
_diffrn_detector_type 'Sapphire3'
_diffrn_detector_area_resol_mean 16.0630
_diffrn_ambient_temperature 293

_diffrn_reflns_number                    15014
_diffrn_reflns_theta_min                 2.79
_diffrn_reflns_theta_max                 34.97
_diffrn_reflns_theta_full                34.24
_diffrn_measured_fraction_theta_max      0.94
_diffrn_measured_fraction_theta_full     0.98
_diffrn_reflns_av_R_equivalents          0.0409
_diffrn_reflns_av_unetI/netI             0.044
_diffrn_reflns_limit_h_min               -10
_diffrn_reflns_limit_h_max               10
_diffrn_reflns_limit_k_min               -11
_diffrn_reflns_limit_k_max               12
_diffrn_reflns_limit_l_min               -18
_diffrn_reflns_limit_l_max               18
_diffrn_reflns_reduction_process         ?

_diffrn_standards_number                 ?
_diffrn_standards_interval_count         ?
_diffrn_standards_interval_time          ?
_diffrn_standards_decay_%                ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
  ? ? ?


#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details
; ?
;

_reflns_number_total                     4783
_reflns_number_gt                        4017
_reflns_threshold_expression             'I>2σ(I)'

_refine_ls_structure_factor_coef         F
_refine_ls_R_factor_gt                   0.0385
_refine_ls_wR_factor_gt                  0.0589
_refine_ls_R_factor_all                  0.0524
_refine_ls_wR_factor_ref                 0.0650
_refine_ls_goodness_of_fit_ref           1.01
_refine_ls_goodness_of_fit_gt            1.00
_refine_ls_restrained_S_gt               ?
_refine_ls_restrained_S_all              ?
_refine_ls_number_reflns                 4783
_refine_ls_number_parameters             228
_refine_ls_number_restraints             0
_refine_ls_number_constraints            20
_refine_ls_weighting_scheme              sigma
_refine_ls_weighting_details             'w=1/(σ²(F)+0.0016F²)'
_refine_ls_hydrogen_treatment            ?
_refine_ls_shift/su_max                  0.0386
_refine_ls_shift/su_mean                 0.0035
_refine_diff_density_max                 0.57
_refine_diff_density_min                 -0.59
_refine_ls_extinction_method             'none'
_refine_ls_extinction_coef               ?
_refine_ls_abs_structure_details         ?
_refine_ls_abs_structure_Flack           ?
_refine_ls_abs_structure_Rogers          ?

loop_
 _atom_type_symbol
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 Ca   0.2262  0.3064
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Mg   0.0486  0.0363
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Mn   0.3368  0.7283
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 O    0.0106  0.0060
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'
 Si   0.0817  0.0704
 'International Tables Vol C tables 4.2.6.8 and 6.1.1.1'

_computing_data_collection               ?
_computing_cell_refinement               ?
_computing_data_reduction                ?
_computing_structure_solution            ?
_computing_structure_refinement          ?
_computing_molecular_graphics            ?
_computing_publication_material          ?

loop_
 _restr_distance_atom_site_label_1
 _restr_distance_site_symmetry_1
 _restr_distance_atom_site_label_2
 _restr_distance_site_symmetry_2
 _restr_distance_target
 _restr_distance_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_angle_atom_site_label_1
 _restr_angle_site_symmetry_1
 _restr_angle_atom_site_label_2
 _restr_angle_site_symmetry_2
 _restr_angle_atom_site_label_3
 _restr_angle_site_symmetry_3
 _restr_angle_target
 _restr_angle_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_torsion_atom_site_label_1
 _restr_torsion_site_symmetry_1
 _restr_torsion_atom_site_label_2
 _restr_torsion_site_symmetry_2
 _restr_torsion_atom_site_label_3
 _restr_torsion_site_symmetry_3
 _restr_torsion_atom_site_label_4
 _restr_torsion_site_symmetry_4
 _restr_torsion_angle_target
 _restr_torsion_weight_param
 ? ? ? ? ? ? ? ? ? ?

loop_
 _restr_equal_distance_atom_site_label_1
 _restr_equal_distance_site_symmetry_1
 _restr_equal_distance_atom_site_label_2
 _restr_equal_distance_site_symmetry_2
 _restr_equal_distance_class_class_id
 _restr_equal_distance_class_target_weight_param
 ? ? ? ? ? ?

loop_
 _restr_equal_angle_atom_site_label_1
 _restr_equal_angle_site_symmetry_1
 _restr_equal_angle_atom_site_label_2
 _restr_equal_angle_site_symmetry_2
 _restr_equal_angle_atom_site_label_3
 _restr_equal_angle_site_symmetry_3
 _restr_equal_angle_class_class_id
 _restr_equal_angle_class_target_weight_param
 ? ? ? ? ? ? ? ?

loop_
 _restr_equal_torsion_atom_site_label_1
 _restr_equal_torsion_site_symmetry_1
 _restr_equal_torsion_atom_site_label_2
 _restr_equal_torsion_site_symmetry_2
 _restr_equal_torsion_atom_site_label_3
 _restr_equal_torsion_site_symmetry_3
 _restr_equal_torsion_atom_site_label_4
 _restr_equal_torsion_site_symmetry_4
 _restr_equal_torsion_class_class_id
 _restr_equal_torsion_class_target_weight_param
 ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_U_iso_or_equiv
 _atom_site_site_symmetry_multiplicity
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
  M1_mn Mn 0.97127(7) 0.87991(7) 0.85209(4) Uani 0.01094(13) 2 1 d . . .
  M2_mn Mn 0.87185(7) 0.68383(7) 0.55436(4) Uani 0.01141(14) 2 1 d . . .
  M3_mn Mn 0.81309(7) 0.48946(7) 0.26936(4) Uani 0.01128(14) 2 1 d . . .
  M4_mn Mn 0.79309(8) 0.29639(8) 0.97263(4) Uani 0.01369(16) 2 0.939(5) d . . .
  M5_mn Mn 0.65087(8) 0.03837(7) 0.70245(5) Uani 0.01551(16) 2 0.918(10) d . . .
  T1_si Si 0.49533(12) 0.22013(12) 0.12486(7) Uani 0.0091(2) 2 1 d . . .
  T2_si Si 0.63698(13) 0.26034(12) 0.46769(7) Uani 0.0093(2) 2 1 d . . .
  T3_si Si 0.70369(13) 0.45359(12) 0.73510(7) Uani 0.0092(2) 2 1 d . . .
  T4_si Si 0.75502(13) 0.74360(12) 0.08871(7) Uani 0.0097(2) 2 1 d . . .
  T5_si Si 0.84761(13) 0.92294(12) 0.34527(7) Uani 0.0091(2) 2 1 d . . .
  O1 O 0.9584(3) 0.9564(3) 0.6797(2) Uani 0.0110(6) 2 1 d . . .
  O2 O 0.8926(3) 0.5965(3) 0.7314(2) Uani 0.0117(6) 2 1 d . . .
  O3 O 0.8916(3) 0.7474(3) 0.3882(2) Uani 0.0124(6) 2 1 d . . .
  O4 O 0.8048(3) 0.3995(3) 0.4354(2) Uani 0.0121(6) 2 1 d . . .
  O5 O 0.8089(4) 0.5467(3) 0.0950(2) Uani 0.0140(7) 2 1 d . . .
  O6 O 0.7330(3) 0.2002(3) 0.1319(2) Uani 0.0110(6) 2 1 d . . .
  O7 O 0.7412(4) 0.3096(3) 0.8084(2) Uani 0.0147(7) 2 1 d . . .
  O8 O 0.6617(3) 0.9348(3) 0.8544(2) Uani 0.0120(6) 2 1 d . . .
  O9 O 0.4469(3) 0.2555(3) 0.99541(19) Uani 0.0126(6) 2 1 d . . .
  O10 O 0.5818(3) 0.7654(4) 0.5972(2) Uani 0.0156(7) 2 1 d . . .
  O11 O 0.9429(3) 0.8427(3) 0.0395(2) Uani 0.0113(6) 2 1 d . . .
  O12 O 0.5177(3) 0.5771(3) 0.7818(2) Uani 0.0119(6) 2 1 d . . .
  O13 O 0.6180(4) 0.3176(3) 0.6090(2) Uani 0.0156(7) 2 1 d . . .
  O14 O 0.7111(4) 0.0527(3) 0.4380(2) Uani 0.0158(7) 2 1 d . . .
  O15 O 0.7032(3) 0.8601(3) 0.22163(19) Uani 0.0122(6) 2 1 d . . .
  M4_mg Mg 0.79309(8) 0.29639(8) 0.97263(4) Uani 0.01369(16) 2 0.061(5) d . . .
  M5_ca Ca 0.65087(8) 0.03837(7) 0.70245(5) Uani 0.01551(16) 2 0.082(10) d . . .


loop_
 _jana_atom_site_ADP_C_label
 _jana_atom_site_ADP_C_type_symbol
 _jana_atom_site_ADP_C_111
 _jana_atom_site_ADP_C_112
 _jana_atom_site_ADP_C_113
 _jana_atom_site_ADP_C_122
 _jana_atom_site_ADP_C_123
 _jana_atom_site_ADP_C_133
 _jana_atom_site_ADP_C_222
 _jana_atom_site_ADP_C_223
 _jana_atom_site_ADP_C_233
 _jana_atom_site_ADP_C_333
 ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_D_label
 _jana_atom_site_ADP_D_type_symbol
 _jana_atom_site_ADP_D_1111
 _jana_atom_site_ADP_D_1112
 _jana_atom_site_ADP_D_1113
 _jana_atom_site_ADP_D_1122
 _jana_atom_site_ADP_D_1123
 _jana_atom_site_ADP_D_1133
 _jana_atom_site_ADP_D_1222
 _jana_atom_site_ADP_D_1223
 _jana_atom_site_ADP_D_1233
 _jana_atom_site_ADP_D_1333
 _jana_atom_site_ADP_D_2222
 _jana_atom_site_ADP_D_2223
 _jana_atom_site_ADP_D_2233
 _jana_atom_site_ADP_D_2333
 _jana_atom_site_ADP_D_3333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_E_label
 _jana_atom_site_ADP_E_type_symbol
 _jana_atom_site_ADP_E_11111
 _jana_atom_site_ADP_E_11112
 _jana_atom_site_ADP_E_11113
 _jana_atom_site_ADP_E_11122
 _jana_atom_site_ADP_E_11123
 _jana_atom_site_ADP_E_11133
 _jana_atom_site_ADP_E_11222
 _jana_atom_site_ADP_E_11223
 _jana_atom_site_ADP_E_11233
 _jana_atom_site_ADP_E_11333
 _jana_atom_site_ADP_E_12222
 _jana_atom_site_ADP_E_12223
 _jana_atom_site_ADP_E_12233
 _jana_atom_site_ADP_E_12333
 _jana_atom_site_ADP_E_13333
 _jana_atom_site_ADP_E_22222
 _jana_atom_site_ADP_E_22223
 _jana_atom_site_ADP_E_22233
 _jana_atom_site_ADP_E_22333
 _jana_atom_site_ADP_E_23333
 _jana_atom_site_ADP_E_33333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
 _jana_atom_site_ADP_F_label
 _jana_atom_site_ADP_F_type_symbol
 _jana_atom_site_ADP_F_111111
 _jana_atom_site_ADP_F_111112
 _jana_atom_site_ADP_F_111113
 _jana_atom_site_ADP_F_111122
 _jana_atom_site_ADP_F_111123
 _jana_atom_site_ADP_F_111133
 _jana_atom_site_ADP_F_111222
 _jana_atom_site_ADP_F_111223
 _jana_atom_site_ADP_F_111233
 _jana_atom_site_ADP_F_111333
 _jana_atom_site_ADP_F_112222
 _jana_atom_site_ADP_F_112223
 _jana_atom_site_ADP_F_112233
 _jana_atom_site_ADP_F_112333
 _jana_atom_site_ADP_F_113333
 _jana_atom_site_ADP_F_122222
 _jana_atom_site_ADP_F_122223
 _jana_atom_site_ADP_F_122233
 _jana_atom_site_ADP_F_122333
 _jana_atom_site_ADP_F_123333
 _jana_atom_site_ADP_F_133333
 _jana_atom_site_ADP_F_222222
 _jana_atom_site_ADP_F_222223
 _jana_atom_site_ADP_F_222233
 _jana_atom_site_ADP_F_222333
 _jana_atom_site_ADP_F_223333
 _jana_atom_site_ADP_F_233333
 _jana_atom_site_ADP_F_333333
 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_site_symmetry_1
 _geom_bond_site_symmetry_2
 _geom_bond_distance
 _geom_bond_publ_flag
  M1_mn O1 . . 2.270(3) ?
  M1_mn O2 . . 2.255(2) ?
  M1_mn O6 . 2_766 2.132(2) ?
  M1_mn O8 . . 2.146(2) ?
  M1_mn O11 . 1_556 2.327(3) ?
  M1_mn O11 . 2_776 2.177(2) ?
  M2_mn O1 . . 2.222(2) ?
  M2_mn O2 . . 2.368(3) ?
  M2_mn O3 . . 2.158(3) ?
  M2_mn O4 . . 2.243(2) ?
  M2_mn O4 . 2_766 2.310(2) ?
  M2_mn O10 . . 2.124(2) ?
  M3_mn T1_si . . 2.9688(9) ?
  M3_mn O2 . 2_766 2.123(2) ?
  M3_mn O3 . . 2.100(2) ?
  M3_mn O4 . . 2.253(3) ?
  M3_mn O5 . . 2.223(3) ?
  M3_mn O6 . . 2.368(2) ?
  M3_mn O12 . 2_666 2.255(2) ?
  M4_mn T1_si . 1_556 2.8742(11) ?
  M4_mn O5 . 1_556 2.053(2) ?
  M4_mn O6 . 1_556 2.242(3) ?
  M4_mn O7 . . 1.992(3) ?
  M4_mn O8 . 1_545 2.789(2) ?
  M4_mn O9 . . 2.353(2) ?
  M4_mn O11 . 2_766 2.119(2) ?
  M4_mn M4_mg . . 0 ?
  M5_mn O1 . 1_545 2.203(2) ?
  M5_mn O7 . . 2.136(2) ?
  M5_mn O8 . 1_545 2.152(3) ?
  M5_mn O10 . 1_545 2.122(2) ?
  M5_mn O13 . . 2.669(3) ?
  M5_mn O14 . 2_656 2.813(2) ?
  M5_mn O15 . 2_666 2.666(2) ?
  M5_mn M5_ca . . 0 ?
  T1_si O6 . . 1.611(2) ?
  T1_si O8 . 2_666 1.598(3) ?
  T1_si O9 . 1_554 1.651(3) ?
  T1_si O12 . 2_666 1.650(2) ?
  T1_si M4_mg . 1_554 2.8742(11) ?
  T2_si O4 . . 1.616(3) ?
  T2_si O10 . 2_666 1.599(2) ?
  T2_si O13 . . 1.625(2) ?
  T2_si O14 . . 1.645(3) ?
  T3_si O2 . . 1.616(2) ?
  T3_si O7 . . 1.600(3) ?
  T3_si O12 . . 1.642(2) ?
  T3_si O13 . . 1.624(2) ?
  T4_si T5_si . . 2.9938(11) ?
  T4_si O5 . . 1.589(3) ?
  T4_si O9 . 2_666 1.648(2) ?
  T4_si O11 . . 1.628(3) ?
  T4_si O15 . . 1.651(2) ?
  T5_si O1 . 2_776 1.619(2) ?
  T5_si O3 . . 1.596(3) ?
  T5_si O14 . 1_565 1.629(2) ?
  T5_si O15 . . 1.657(2) ?
  O1 O2 . . 2.973(4) ?
  O1 O3 . 2_776 2.731(4) ?
  O1 O8 . . 2.956(3) ?
  O1 O10 . . 2.812(3) ?
  O1 O14 . 2_766 2.661(3) ?
  O1 O15 . 2_776 2.623(3) ?
  O1 M5_ca . 1_565 2.203(2) ?
  O2 O4 . 2_766 2.893(3) ?
  O2 O7 . . 2.732(4) ?
  O2 O12 . . 2.608(3) ?
  O2 O13 . . 2.744(3) ?
  O3 O4 . . 2.877(4) ?
  O3 O14 . 1_565 2.639(3) ?
  O3 O15 . . 2.663(4) ?
  O4 O10 . 2_666 2.757(3) ?
  O4 O13 . . 2.641(4) ?
  O4 O14 . . 2.679(4) ?
  O5 O6 . . 2.804(4) ?
  O5 O9 . 2_666 2.731(4) ?
  O5 O11 . . 2.621(4) ?
  O5 O12 . 2_666 2.917(3) ?
  O5 O15 . . 2.620(3) ?
  O5 M4_mg . 1_554 2.053(2) ?
  O6 O8 . 2_666 2.791(3) ?
  O6 O9 . 1_554 2.587(3) ?
  O6 O12 . 2_666 2.526(3) ?
  O6 M4_mg . 1_554 2.242(3) ?
  O7 O12 . . 2.695(4) ?
  O7 O13 . . 2.488(4) ?
  O7 M4_mg . . 1.992(3) ?
  O7 M5_ca . . 2.136(2) ?
  O8 O9 . 2_667 2.673(4) ?
  O8 O10 . . 2.979(3) ?
  O8 O12 . . 2.715(3) ?
  O8 M4_mg . 1_565 2.789(2) ?
  O8 M5_ca . 1_565 2.152(3) ?
  O9 O11 . 2_666 2.646(3) ?
  O9 O12 . 2_667 2.595(3) ?
  O9 O15 . 2_666 2.613(3) ?
  O9 M4_mg . . 2.353(2) ?
  O10 O12 . . 2.950(4) ?
  O10 O13 . 2_666 2.631(3) ?
  O10 O14 . 2_666 2.568(4) ?
  O10 M5_ca . 1_565 2.122(2) ?
  O11 O11 . 2_775 2.865(4) ?
  O11 O15 . . 2.724(3) ?
  O11 M4_mg . 2_766 2.119(2) ?
  O12 O13 . . 2.585(3) ?
  O13 O14 . . 2.580(3) ?
  O13 M5_ca . . 2.669(3) ?
  O14 O15 . 1_545 2.583(3) ?
  O14 M5_ca . 2_656 2.813(2) ?
  O15 M5_ca . 2_666 2.666(2) ?

loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_2
 _geom_angle_site_symmetry_3
 _geom_angle
 _geom_angle_publ_flag
  O1 M1_mn O2 . . . 82.14(9) ?
  O1 M1_mn O6 . . 2_766 104.37(9) ?
  O1 M1_mn O8 . . . 83.98(9) ?
  O1 M1_mn O11 . . 1_556 169.35(8) ?
  O1 M1_mn O11 . . 2_776 95.05(9) ?
  O2 M1_mn O6 . . 2_766 86.43(8) ?
  O2 M1_mn O8 . . . 91.38(8) ?
  O2 M1_mn O11 . . 1_556 104.14(9) ?
  O2 M1_mn O11 . . 2_776 176.65(10) ?
  O6 M1_mn O8 2_766 . . 170.96(10) ?
  O6 M1_mn O11 2_766 . 1_556 84.81(9) ?
  O6 M1_mn O11 2_766 . 2_776 92.53(8) ?
  O8 M1_mn O11 . . 1_556 87.23(9) ?
  O8 M1_mn O11 . . 2_776 90.13(8) ?
  O11 M1_mn O11 1_556 . 2_776 78.92(9) ?
  O1 M2_mn O2 . . . 80.68(9) ?
  O1 M2_mn O3 . . . 101.22(9) ?
  O1 M2_mn O4 . . . 175.20(9) ?
  O1 M2_mn O4 . . 2_766 91.63(8) ?
  O1 M2_mn O10 . . . 80.61(8) ?
  O2 M2_mn O3 . . . 172.13(9) ?
  O2 M2_mn O4 . . . 96.00(9) ?
  O2 M2_mn O4 . . 2_766 76.42(9) ?
  O2 M2_mn O10 . . . 87.91(9) ?
  O3 M2_mn O4 . . . 81.60(9) ?
  O3 M2_mn O4 . . 2_766 95.85(9) ?
  O3 M2_mn O10 . . . 99.92(10) ?
  O4 M2_mn O4 . . 2_766 84.20(8) ?
  O4 M2_mn O10 . . . 102.81(9) ?
  O4 M2_mn O10 2_766 . . 163.50(9) ?
  T1_si M3_mn O2 . . 2_766 116.41(6) ?
  T1_si M3_mn O3 . . . 148.51(7) ?
  T1_si M3_mn O4 . . . 98.75(6) ?
  T1_si M3_mn O5 . . . 75.64(6) ?
  T1_si M3_mn O6 . . . 32.75(5) ?
  T1_si M3_mn O12 . . 2_666 33.43(6) ?
  O2 M3_mn O3 2_766 . . 95.03(9) ?
  O2 M3_mn O4 2_766 . . 82.74(9) ?
  O2 M3_mn O5 2_766 . . 97.09(10) ?
  O2 M3_mn O6 2_766 . . 83.81(8) ?
  O2 M3_mn O12 2_766 . 2_666 149.44(8) ?
  O3 M3_mn O4 . . . 82.66(9) ?
  O3 M3_mn O5 . . . 103.62(9) ?
  O3 M3_mn O6 . . . 178.22(9) ?
  O3 M3_mn O12 . . 2_666 115.11(9) ?
  O4 M3_mn O5 . . . 173.69(8) ?
  O4 M3_mn O6 . . . 98.52(9) ?
  O4 M3_mn O12 . . 2_666 95.64(9) ?
  O5 M3_mn O6 . . . 75.21(9) ?
  O5 M3_mn O12 . . 2_666 81.28(9) ?
  O6 M3_mn O12 . . 2_666 66.17(7) ?
  T1_si M4_mn O5 1_556 . 1_556 80.26(8) ?
  T1_si M4_mn O6 1_556 . 1_556 33.94(6) ?
  T1_si M4_mn O7 1_556 . . 125.98(7) ?
  T1_si M4_mn O8 1_556 . 1_545 79.58(5) ?
  T1_si M4_mn O9 1_556 . . 35.05(6) ?
  T1_si M4_mn O11 1_556 . 2_766 118.47(8) ?
  T1_si M4_mn M4_mg 1_556 . . 0 ?
  O5 M4_mn O6 1_556 . 1_556 81.37(9) ?
  O5 M4_mn O7 1_556 . . 113.39(11) ?
  O5 M4_mn O8 1_556 . 1_545 159.77(9) ?
  O5 M4_mn O9 1_556 . . 89.89(9) ?
  O5 M4_mn O11 1_556 . 2_766 115.98(9) ?
  O5 M4_mn M4_mg 1_556 . . 0 ?
  O6 M4_mn O7 1_556 . . 155.43(9) ?
  O6 M4_mn O8 1_556 . 1_545 82.92(8) ?
  O6 M4_mn O9 1_556 . . 68.49(8) ?
  O6 M4_mn O11 1_556 . 2_766 87.25(9) ?
  O6 M4_mn M4_mg 1_556 . . 0 ?
  O7 M4_mn O8 . . 1_545 77.66(9) ?
  O7 M4_mn O9 . . . 91.18(9) ?
  O7 M4_mn O11 . . 2_766 102.21(10) ?
  O7 M4_mn M4_mg . . . 0 ?
  O8 M4_mn O9 1_545 . . 72.47(7) ?
  O8 M4_mn O11 1_545 . 2_766 75.77(7) ?
  O8 M4_mn M4_mg 1_545 . . 0 ?
  O9 M4_mn O11 . . 2_766 141.85(10) ?
  O9 M4_mn M4_mg . . . 0 ?
  O11 M4_mn M4_mg 2_766 . . 0 ?
  O1 M5_mn O7 1_545 . . 95.06(9) ?
  O1 M5_mn O8 1_545 . 1_545 85.46(9) ?
  O1 M5_mn O10 1_545 . 1_545 81.09(8) ?
  O1 M5_mn O13 1_545 . . 107.45(9) ?
  O1 M5_mn O14 1_545 . 2_656 134.35(7) ?
  O1 M5_mn O15 1_545 . 2_666 167.59(8) ?
  O1 M5_mn M5_ca 1_545 . . 0 ?
  O7 M5_mn O8 . . 1_545 91.10(9) ?
  O7 M5_mn O10 . . 1_545 176.14(10) ?
  O7 M5_mn O13 . . . 61.18(9) ?
  O7 M5_mn O14 . . 2_656 122.74(9) ?
  O7 M5_mn O15 . . 2_666 80.25(8) ?
  O7 M5_mn M5_ca . . . 0 ?
  O8 M5_mn O10 1_545 . 1_545 88.36(10) ?
  O8 M5_mn O13 1_545 . . 149.75(8) ?
  O8 M5_mn O14 1_545 . 2_656 115.35(8) ?
  O8 M5_mn O15 1_545 . 2_666 83.16(8) ?
  O8 M5_mn M5_ca 1_545 . . 0 ?
  O10 M5_mn O13 1_545 . . 120.13(9) ?
  O10 M5_mn O14 1_545 . 2_656 60.82(8) ?
  O10 M5_mn O15 1_545 . 2_666 103.48(8) ?
  O10 M5_mn M5_ca 1_545 . . 0 ?
  O13 M5_mn O14 . . 2_656 75.38(7) ?
  O13 M5_mn O15 . . 2_666 80.48(8) ?
  O13 M5_mn M5_ca . . . 0 ?
  O14 M5_mn O15 2_656 . 2_666 56.18(7) ?
  O14 M5_mn M5_ca 2_656 . . 0 ?
  O15 M5_mn M5_ca 2_666 . . 0 ?
  M3_mn T1_si M4_mn . . 1_554 71.57(2) ?
  M3_mn T1_si O6 . . . 52.67(8) ?
  M3_mn T1_si O8 . . 2_666 136.26(9) ?
  M3_mn T1_si O9 . . 1_554 112.43(9) ?
  M3_mn T1_si O12 . . 2_666 48.83(8) ?
  M3_mn T1_si M4_mg . . 1_554 71.57(2) ?
  M4_mn T1_si O6 1_554 . . 50.99(10) ?
  M4_mn T1_si O8 1_554 . 2_666 144.06(9) ?
  M4_mn T1_si O9 1_554 . 1_554 54.94(8) ?
  M4_mn T1_si O12 1_554 . 2_666 102.41(9) ?
  M4_mn T1_si M4_mg 1_554 . 1_554 0.0(5) ?
  O6 T1_si O8 . . 2_666 120.88(14) ?
  O6 T1_si O9 . . 1_554 104.97(13) ?
  O6 T1_si O12 . . 2_666 101.50(11) ?
  O6 T1_si M4_mg . . 1_554 50.99(10) ?
  O8 T1_si O9 2_666 . 1_554 110.72(12) ?
  O8 T1_si O12 2_666 . 2_666 113.38(12) ?
  O8 T1_si M4_mg 2_666 . 1_554 144.06(9) ?
  O9 T1_si O12 1_554 . 2_666 103.65(13) ?
  O9 T1_si M4_mg 1_554 . 1_554 54.94(8) ?
  O12 T1_si M4_mg 2_666 . 1_554 102.41(9) ?
  O4 T2_si O10 . . 2_666 118.05(15) ?
  O4 T2_si O13 . . . 109.17(12) ?
  O4 T2_si O14 . . . 110.47(13) ?
  O10 T2_si O13 2_666 . . 109.38(13) ?
  O10 T2_si O14 2_666 . . 104.66(13) ?
  O13 T2_si O14 . . . 104.18(14) ?
  O2 T3_si O7 . . . 116.28(13) ?
  O2 T3_si O12 . . . 106.33(12) ?
  O2 T3_si O13 . . . 115.71(13) ?
  O7 T3_si O12 . . . 112.45(14) ?
  O7 T3_si O13 . . . 101.00(13) ?
  O12 T3_si O13 . . . 104.63(12) ?
  T5_si T4_si O5 . . . 94.96(9) ?
  T5_si T4_si O9 . . 2_666 129.84(9) ?
  T5_si T4_si O11 . . . 97.94(8) ?
  T5_si T4_si O15 . . . 25.20(8) ?
  O5 T4_si O9 . . 2_666 115.06(12) ?
  O5 T4_si O11 . . . 109.12(13) ?
  O5 T4_si O15 . . . 107.89(14) ?
  O9 T4_si O11 2_666 . . 107.73(13) ?
  O9 T4_si O15 2_666 . . 104.74(12) ?
  O11 T4_si O15 . . . 112.34(12) ?
  T4_si T5_si O1 . . 2_776 92.18(9) ?
  T4_si T5_si O3 . . . 99.52(8) ?
  T4_si T5_si O14 . . 1_565 128.58(10) ?
  T4_si T5_si O15 . . . 25.11(8) ?
  O1 T5_si O3 2_776 . . 116.27(13) ?
  O1 T5_si O14 2_776 . 1_565 109.99(12) ?
  O1 T5_si O15 2_776 . . 106.41(13) ?
  O3 T5_si O14 . . 1_565 109.81(14) ?
  O3 T5_si O15 . . . 109.91(12) ?
  O14 T5_si O15 1_565 . . 103.65(12) ?
  M1_mn O1 M2_mn . . . 100.49(10) ?
  M1_mn O1 M5_mn . . 1_565 92.44(9) ?
  M1_mn O1 T5_si . . 2_776 116.50(12) ?
  M1_mn O1 O2 . . . 48.71(7) ?
  M1_mn O1 O3 . . 2_776 133.85(10) ?
  M1_mn O1 O8 . . . 46.21(7) ?
  M1_mn O1 O10 . . . 95.39(10) ?
  M1_mn O1 O14 . . 2_766 118.51(11) ?
  M1_mn O1 O15 . . 2_776 79.61(9) ?
  M1_mn O1 M5_ca . . 1_565 92.44(9) ?
  M2_mn O1 M5_mn . . 1_565 96.08(8) ?
  M2_mn O1 T5_si . . 2_776 118.29(12) ?
  M2_mn O1 O2 . . . 51.80(7) ?
  M2_mn O1 O3 . . 2_776 123.23(11) ?
  M2_mn O1 O8 . . . 97.67(9) ?
  M2_mn O1 O10 . . . 48.18(6) ?
  M2_mn O1 O14 . . 2_766 84.49(8) ?
  M2_mn O1 O15 . . 2_776 135.46(11) ?
  M2_mn O1 M5_ca . . 1_565 96.08(8) ?
  M5_mn O1 T5_si 1_565 . 2_776 127.21(14) ?
  M5_mn O1 O2 1_565 . . 97.83(9) ?
  M5_mn O1 O3 1_565 . 2_776 96.52(10) ?
  M5_mn O1 O8 1_565 . . 46.54(7) ?
  M5_mn O1 O10 1_565 . . 48.20(7) ?
  M5_mn O1 O14 1_565 . 2_766 148.51(13) ?
  M5_mn O1 O15 1_565 . 2_776 128.45(10) ?
  M5_mn O1 M5_ca 1_565 . 1_565 0.0(5) ?
  T5_si O1 O2 2_776 . . 134.72(13) ?
  T5_si O1 O3 2_776 . 2_776 31.61(8) ?
  T5_si O1 O8 2_776 . . 143.68(11) ?
  T5_si O1 O10 2_776 . . 148.02(15) ?
  T5_si O1 O14 2_776 . 2_766 35.12(7) ?
  T5_si O1 O15 2_776 . 2_776 37.28(8) ?
  T5_si O1 M5_ca 2_776 . 1_565 127.21(14) ?
  O2 O1 O3 . . 2_776 165.29(11) ?
  O2 O1 O8 . . . 64.19(8) ?
  O2 O1 O10 . . . 65.27(9) ?
  O2 O1 O14 . . 2_766 106.82(10) ?
  O2 O1 O15 . . 2_776 112.67(11) ?
  O2 O1 M5_ca . . 1_565 97.83(9) ?
  O3 O1 O8 2_776 . . 129.48(10) ?
  O3 O1 O10 2_776 . . 123.69(12) ?
  O3 O1 O14 2_776 . 2_766 58.59(9) ?
  O3 O1 O15 2_776 . 2_776 59.62(9) ?
  O3 O1 M5_ca 2_776 . 1_565 96.52(10) ?
  O8 O1 O10 . . . 62.13(8) ?
  O8 O1 O14 . . 2_766 164.72(13) ?
  O8 O1 O15 . . 2_776 112.02(10) ?
  O8 O1 M5_ca . . 1_565 46.54(7) ?
  O10 O1 O14 . . 2_766 127.11(10) ?
  O10 O1 O15 . . 2_776 174.14(12) ?
  O10 O1 M5_ca . . 1_565 48.20(7) ?
  O14 O1 O15 2_766 . 2_776 58.52(8) ?
  O14 O1 M5_ca 2_766 . 1_565 148.51(13) ?
  O15 O1 M5_ca 2_776 . 1_565 128.45(10) ?
  M1_mn O2 M2_mn . . . 96.65(10) ?
  M1_mn O2 M3_mn . . 2_766 96.52(8) ?
  M1_mn O2 T3_si . . . 127.88(13) ?
  M1_mn O2 O1 . . . 49.15(7) ?
  M1_mn O2 O4 . . 2_766 98.46(9) ?
  M1_mn O2 O7 . . . 122.92(11) ?
  M1_mn O2 O12 . . . 95.16(9) ?
  M1_mn O2 O13 . . . 151.58(11) ?
  M2_mn O2 M3_mn . . 2_766 101.39(10) ?
  M2_mn O2 T3_si . . . 110.24(11) ?
  M2_mn O2 O1 . . . 47.51(6) ?
  M2_mn O2 O4 . . 2_766 50.89(7) ?
  M2_mn O2 O7 . . . 136.43(10) ?
  M2_mn O2 O12 . . . 102.00(10) ?
  M2_mn O2 O13 . . . 82.57(9) ?
  M3_mn O2 T3_si 2_766 . . 119.35(14) ?
  M3_mn O2 O1 2_766 . . 102.43(10) ?
  M3_mn O2 O4 2_766 . 2_766 50.56(7) ?
  M3_mn O2 O7 2_766 . . 92.19(11) ?
  M3_mn O2 O12 2_766 . . 152.37(14) ?
  M3_mn O2 O13 2_766 . . 111.55(10) ?
  T3_si O2 O1 . . . 137.08(13) ?
  T3_si O2 O4 . . 2_766 133.26(12) ?
  T3_si O2 O7 . . . 31.68(8) ?
  T3_si O2 O12 . . . 37.17(8) ?
  T3_si O2 O13 . . . 32.23(7) ?
  O1 O2 O4 . . 2_766 67.27(9) ?
  O1 O2 O7 . . . 163.82(11) ?
  O1 O2 O12 . . . 104.15(10) ?
  O1 O2 O13 . . . 124.31(11) ?
  O4 O2 O7 2_766 . . 128.55(11) ?
  O4 O2 O12 2_766 . . 150.79(12) ?
  O4 O2 O13 2_766 . . 102.73(9) ?
  O7 O2 O12 . . . 60.57(9) ?
  O7 O2 O13 . . . 54.04(9) ?
  O12 O2 O13 . . . 57.69(8) ?
  M2_mn O3 M3_mn . . . 101.34(11) ?
  M2_mn O3 T5_si . . . 133.31(13) ?
  M2_mn O3 O1 . . 2_776 134.67(10) ?
  M2_mn O3 O4 . . . 50.49(7) ?
  M2_mn O3 O14 . . 1_565 98.91(10) ?
  M2_mn O3 O15 . . . 146.50(12) ?
  M3_mn O3 T5_si . . . 117.35(13) ?
  M3_mn O3 O1 . . 2_776 123.01(11) ?
  M3_mn O3 O4 . . . 50.95(7) ?
  M3_mn O3 O14 . . 1_565 132.10(12) ?
  M3_mn O3 O15 . . . 82.18(9) ?
  T5_si O3 O1 . . 2_776 32.12(8) ?
  T5_si O3 O4 . . . 157.11(13) ?
  T5_si O3 O14 . . 1_565 35.50(8) ?
  T5_si O3 O15 . . . 35.79(8) ?
  O1 O3 O4 2_776 . . 167.81(11) ?
  O1 O3 O14 2_776 . 1_565 59.38(9) ?
  O1 O3 O15 2_776 . . 58.18(9) ?
  O4 O3 O14 . . 1_565 132.81(12) ?
  O4 O3 O15 . . . 125.25(10) ?
  O14 O3 O15 1_565 . . 58.31(9) ?
  M2_mn O4 M2_mn . . 2_766 95.80(8) ?
  M2_mn O4 M3_mn . . . 94.22(10) ?
  M2_mn O4 T2_si . . . 119.88(12) ?
  M2_mn O4 O2 . . 2_766 99.57(9) ?
  M2_mn O4 O3 . . . 47.91(7) ?
  M2_mn O4 O10 . . 2_666 120.10(11) ?
  M2_mn O4 O13 . . . 87.30(9) ?
  M2_mn O4 O14 . . . 142.21(12) ?
  M2_mn O4 M3_mn 2_766 . . 99.34(9) ?
  M2_mn O4 T2_si 2_766 . . 114.10(14) ?
  M2_mn O4 O2 2_766 . 2_766 52.69(7) ?
  M2_mn O4 O3 2_766 . . 98.93(9) ?
  M2_mn O4 O10 2_766 . 2_666 138.28(12) ?
  M2_mn O4 O13 2_766 . . 107.45(11) ?
  M2_mn O4 O14 2_766 . . 82.43(10) ?
  M3_mn O4 T2_si . . . 127.32(12) ?
  M3_mn O4 O2 . . 2_766 46.70(7) ?
  M3_mn O4 O3 . . . 46.39(7) ?
  M3_mn O4 O10 . . 2_666 98.47(10) ?
  M3_mn O4 O13 . . . 152.89(12) ?
  M3_mn O4 O14 . . . 123.42(10) ?
  T2_si O4 O2 . . 2_766 140.29(12) ?
  T2_si O4 O3 . . . 146.56(14) ?
  T2_si O4 O10 . . 2_666 30.80(8) ?
  T2_si O4 O13 . . . 35.53(8) ?
  T2_si O4 O14 . . . 35.12(8) ?
  O2 O4 O3 2_766 . . 65.33(9) ?
  O2 O4 O10 2_766 . 2_666 130.44(10) ?
  O2 O4 O13 2_766 . . 159.30(13) ?
  O2 O4 O14 2_766 . . 108.61(10) ?
  O3 O4 O10 . . 2_666 120.42(12) ?
  O3 O4 O13 . . . 130.18(11) ?
  O3 O4 O14 . . . 169.80(11) ?
  O10 O4 O13 2_666 . . 58.30(9) ?
  O10 O4 O14 2_666 . . 56.37(9) ?
  O13 O4 O14 . . . 58.01(9) ?
  M3_mn O5 M4_mn . . 1_554 106.04(12) ?
  M3_mn O5 T4_si . . . 117.81(12) ?
  M3_mn O5 O6 . . . 54.75(8) ?
  M3_mn O5 O9 . . 2_666 128.69(11) ?
  M3_mn O5 O11 . . . 129.47(10) ?
  M3_mn O5 O12 . . 2_666 49.85(7) ?
  M3_mn O5 O15 . . . 80.99(9) ?
  M3_mn O5 M4_mg . . 1_554 106.04(12) ?
  M4_mn O5 T4_si 1_554 . . 133.07(15) ?
  M4_mn O5 O6 1_554 . . 52.24(7) ?
  M4_mn O5 O9 1_554 . 2_666 104.92(10) ?
  M4_mn O5 O11 1_554 . . 120.13(12) ?
  M4_mn O5 O12 1_554 . 2_666 91.44(9) ?
  M4_mn O5 O15 1_554 . . 160.39(13) ?
  M4_mn O5 M4_mg 1_554 . 1_554 0.0(5) ?
  T4_si O5 O6 . . . 155.35(15) ?
  T4_si O5 O9 . . 2_666 33.13(8) ?
  T4_si O5 O11 . . . 35.93(8) ?
  T4_si O5 O12 . . 2_666 103.85(12) ?
  T4_si O5 O15 . . . 36.85(8) ?
  T4_si O5 M4_mg . . 1_554 133.07(15) ?
  O6 O5 O9 . . 2_666 128.73(11) ?
  O6 O5 O11 . . . 168.42(12) ?
  O6 O5 O12 . . 2_666 52.36(8) ?
  O6 O5 O15 . . . 127.84(12) ?
  O6 O5 M4_mg . . 1_554 52.24(7) ?
  O9 O5 O11 2_666 . . 59.20(9) ?
  O9 O5 O12 2_666 . 2_666 89.80(10) ?
  O9 O5 O15 2_666 . . 58.40(9) ?
  O9 O5 M4_mg 2_666 . 1_554 104.92(10) ?
  O11 O5 O12 . . 2_666 139.22(12) ?
  O11 O5 O15 . . . 62.62(9) ?
  O11 O5 M4_mg . . 1_554 120.13(12) ?
  O12 O5 O15 2_666 . . 79.07(9) ?
  O12 O5 M4_mg 2_666 . 1_554 91.44(9) ?
  O15 O5 M4_mg . . 1_554 160.39(13) ?
  M1_mn O6 M3_mn 2_766 . . 92.97(8) ?
  M1_mn O6 M4_mn 2_766 . 1_554 93.51(9) ?
  M1_mn O6 T1_si 2_766 . . 167.95(16) ?
  M1_mn O6 O5 2_766 . . 101.90(10) ?
  M1_mn O6 O8 2_766 . 2_666 138.53(13) ?
  M1_mn O6 O9 2_766 . 1_554 147.42(12) ?
  M1_mn O6 O12 2_766 . 2_666 146.46(10) ?
  M1_mn O6 M4_mg 2_766 . 1_554 93.51(9) ?
  M3_mn O6 M4_mn . . 1_554 95.64(9) ?
  M3_mn O6 T1_si . . . 94.59(10) ?
  M3_mn O6 O5 . . . 50.04(7) ?
  M3_mn O6 O8 . . 2_666 111.39(9) ?
  M3_mn O6 O9 . . 1_554 104.05(10) ?
  M3_mn O6 O12 . . 2_666 54.77(7) ?
  M3_mn O6 M4_mg . . 1_554 95.64(9) ?
  M4_mn O6 T1_si 1_554 . . 95.07(12) ?
  M4_mn O6 O5 1_554 . . 46.38(7) ?
  M4_mn O6 O8 1_554 . 2_666 115.72(10) ?
  M4_mn O6 O9 1_554 . 1_554 57.78(8) ?
  M4_mn O6 O12 1_554 . 2_666 98.21(11) ?
  M4_mn O6 M4_mg 1_554 . 1_554 0.0(5) ?
  T1_si O6 O5 . . . 90.15(12) ?
  T1_si O6 O8 . . 2_666 29.43(8) ?
  T1_si O6 O9 . . 1_554 38.05(8) ?
  T1_si O6 O12 . . 2_666 39.82(7) ?
  T1_si O6 M4_mg . . 1_554 95.07(12) ?
  O5 O6 O8 . . 2_666 119.53(11) ?
  O5 O6 O9 . . 1_554 70.58(10) ?
  O5 O6 O12 . . 2_666 66.12(9) ?
  O5 O6 M4_mg . . 1_554 46.38(7) ?
  O8 O6 O9 2_666 . 1_554 59.45(9) ?
  O8 O6 O12 2_666 . 2_666 61.16(8) ?
  O8 O6 M4_mg 2_666 . 1_554 115.72(10) ?
  O9 O6 O12 1_554 . 2_666 60.99(9) ?
  O9 O6 M4_mg 1_554 . 1_554 57.78(8) ?
  O12 O6 M4_mg 2_666 . 1_554 98.21(11) ?
  M4_mn O7 M5_mn . . . 107.46(13) ?
  M4_mn O7 T3_si . . . 141.23(14) ?
  M4_mn O7 O2 . . . 122.63(10) ?
  M4_mn O7 O12 . . . 116.04(11) ?
  M4_mn O7 O13 . . . 170.71(14) ?
  M4_mn O7 M4_mg . . . 0.0(5) ?
  M4_mn O7 M5_ca . . . 107.46(13) ?
  M5_mn O7 T3_si . . . 109.88(12) ?
  M5_mn O7 O2 . . . 126.46(12) ?
  M5_mn O7 O12 . . . 117.11(11) ?
  M5_mn O7 O13 . . . 70.04(9) ?
  M5_mn O7 M4_mg . . . 107.46(13) ?
  M5_mn O7 M5_ca . . . 0.0(5) ?
  T3_si O7 O2 . . . 32.04(8) ?
  T3_si O7 O12 . . . 34.27(8) ?
  T3_si O7 O13 . . . 39.85(8) ?
  T3_si O7 M4_mg . . . 141.23(14) ?
  T3_si O7 M5_ca . . . 109.88(12) ?
  O2 O7 O12 . . . 57.44(9) ?
  O2 O7 O13 . . . 63.22(10) ?
  O2 O7 M4_mg . . . 122.63(10) ?
  O2 O7 M5_ca . . . 126.46(12) ?
  O12 O7 O13 . . . 59.67(9) ?
  O12 O7 M4_mg . . . 116.04(11) ?
  O12 O7 M5_ca . . . 117.11(11) ?
  O13 O7 M4_mg . . . 170.71(14) ?
  O13 O7 M5_ca . . . 70.04(9) ?
  M4_mg O7 M5_ca . . . 107.46(13) ?
  M1_mn O8 M4_mn . . 1_565 87.23(7) ?
  M1_mn O8 M5_mn . . 1_565 97.45(10) ?
  M1_mn O8 T1_si . . 2_666 116.81(14) ?
  M1_mn O8 O1 . . . 49.80(7) ?
  M1_mn O8 O6 . . 2_666 146.32(13) ?
  M1_mn O8 O9 . . 2_667 97.13(11) ?
  M1_mn O8 O10 . . . 93.52(9) ?
  M1_mn O8 O12 . . . 94.78(10) ?
  M1_mn O8 M4_mg . . 1_565 87.23(7) ?
  M1_mn O8 M5_ca . . 1_565 97.45(10) ?
  M4_mn O8 M5_mn 1_565 . 1_565 83.67(8) ?
  M4_mn O8 T1_si 1_565 . 2_666 136.31(12) ?
  M4_mn O8 O1 1_565 . . 87.80(8) ?
  M4_mn O8 O6 1_565 . 2_666 120.08(9) ?
  M4_mn O8 O9 1_565 . 2_667 111.20(9) ?
  M4_mn O8 O10 1_565 . . 128.78(11) ?
  M4_mn O8 O12 1_565 . . 168.75(12) ?
  M4_mn O8 M4_mg 1_565 . 1_565 0.0(5) ?
  M4_mn O8 M5_ca 1_565 . 1_565 83.67(8) ?
  M5_mn O8 T1_si 1_565 . 2_666 124.47(12) ?
  M5_mn O8 O1 1_565 . . 47.99(7) ?
  M5_mn O8 O6 1_565 . 2_666 104.40(10) ?
  M5_mn O8 O9 1_565 . 2_667 159.63(11) ?
  M5_mn O8 O10 1_565 . . 45.40(7) ?
  M5_mn O8 O12 1_565 . . 106.99(10) ?
  M5_mn O8 M4_mg 1_565 . 1_565 83.67(8) ?
  M5_mn O8 M5_ca 1_565 . 1_565 0.0(5) ?
  T1_si O8 O1 2_666 . . 135.80(12) ?
  T1_si O8 O6 2_666 . 2_666 29.69(8) ?
  T1_si O8 O9 2_666 . 2_667 35.28(8) ?
  T1_si O8 O10 2_666 . . 87.90(10) ?
  T1_si O8 O12 2_666 . . 33.92(7) ?
  T1_si O8 M4_mg 2_666 . 1_565 136.31(12) ?
  T1_si O8 M5_ca 2_666 . 1_565 124.47(12) ?
  O1 O8 O6 . . 2_666 140.82(10) ?
  O1 O8 O9 . . 2_667 142.19(12) ?
  O1 O8 O10 . . . 56.57(7) ?
  O1 O8 O12 . . . 101.95(9) ?
  O1 O8 M4_mg . . 1_565 87.80(8) ?
  O1 O8 M5_ca . . 1_565 47.99(7) ?
  O6 O8 O9 2_666 . 2_667 56.47(9) ?
  O6 O8 O10 2_666 . . 84.28(8) ?
  O6 O8 O12 2_666 . . 54.59(8) ?
  O6 O8 M4_mg 2_666 . 1_565 120.08(9) ?
  O6 O8 M5_ca 2_666 . 1_565 104.40(10) ?
  O9 O8 O10 2_667 . . 119.45(10) ?
  O9 O8 O12 2_667 . . 57.58(8) ?
  O9 O8 M4_mg 2_667 . 1_565 111.20(9) ?
  O9 O8 M5_ca 2_667 . 1_565 159.63(11) ?
  O10 O8 O12 . . . 62.22(9) ?
  O10 O8 M4_mg . . 1_565 128.78(11) ?
  O10 O8 M5_ca . . 1_565 45.40(7) ?
  O12 O8 M4_mg . . 1_565 168.75(12) ?
  O12 O8 M5_ca . . 1_565 106.99(10) ?
  M4_mg O8 M5_ca 1_565 . 1_565 83.67(8) ?
  M4_mn O9 T1_si . . 1_556 90.01(10) ?
  M4_mn O9 T4_si . . 2_666 133.51(14) ?
  M4_mn O9 O5 . . 2_666 119.38(12) ?
  M4_mn O9 O6 . . 1_556 53.73(7) ?
  M4_mn O9 O8 . . 2_667 116.29(11) ?
  M4_mn O9 O11 . . 2_666 164.35(11) ?
  M4_mn O9 O12 . . 2_667 93.54(8) ?
  M4_mn O9 O15 . . 2_666 102.63(10) ?
  M4_mn O9 M4_mg . . . 0.0(5) ?
  T1_si O9 T4_si 1_556 . 2_666 136.45(16) ?
  T1_si O9 O5 1_556 . 2_666 136.20(13) ?
  T1_si O9 O6 1_556 . 1_556 36.98(8) ?
  T1_si O9 O8 1_556 . 2_667 34.00(7) ?
  T1_si O9 O11 1_556 . 2_666 101.37(12) ?
  T1_si O9 O12 1_556 . 2_667 38.17(8) ?
  T1_si O9 O15 1_556 . 2_666 150.49(14) ?
  T1_si O9 M4_mg 1_556 . . 90.01(10) ?
  T4_si O9 O5 2_666 . 2_666 31.81(8) ?
  T4_si O9 O6 2_666 . 1_556 169.72(16) ?
  T4_si O9 O8 2_666 . 2_667 106.74(12) ?
  T4_si O9 O11 2_666 . 2_666 35.88(8) ?
  T4_si O9 O12 2_666 . 2_667 122.78(13) ?
  T4_si O9 O15 2_666 . 2_666 37.67(7) ?
  T4_si O9 M4_mg 2_666 . . 133.51(14) ?
  O5 O9 O6 2_666 . 1_556 156.89(11) ?
  O5 O9 O8 2_666 . 2_667 123.21(11) ?
  O5 O9 O11 2_666 . 2_666 58.33(9) ?
  O5 O9 O12 2_666 . 2_667 103.71(10) ?
  O5 O9 O15 2_666 . 2_666 58.67(9) ?
  O5 O9 M4_mg 2_666 . . 119.38(12) ?
  O6 O9 O8 1_556 . 2_667 64.07(9) ?
  O6 O9 O11 1_556 . 2_666 135.02(13) ?
  O6 O9 O12 1_556 . 2_667 58.33(8) ?
  O6 O9 O15 1_556 . 2_666 140.98(12) ?
  O6 O9 M4_mg 1_556 . . 53.73(7) ?
  O8 O9 O11 2_667 . 2_666 70.99(10) ?
  O8 O9 O12 2_667 . 2_667 62.02(9) ?
  O8 O9 O15 2_667 . 2_666 118.30(11) ?
  O8 O9 M4_mg 2_667 . . 116.29(11) ?
  O11 O9 O12 2_666 . 2_667 102.05(10) ?
  O11 O9 O15 2_666 . 2_666 62.39(8) ?
  O11 O9 M4_mg 2_666 . . 164.35(11) ?
  O12 O9 O15 2_667 . 2_666 160.40(12) ?
  O12 O9 M4_mg 2_667 . . 93.54(8) ?
  O15 O9 M4_mg 2_666 . . 102.63(10) ?
  M2_mn O10 M5_mn . . 1_565 101.60(10) ?
  M2_mn O10 T2_si . . 2_666 137.36(13) ?
  M2_mn O10 O1 . . . 51.21(7) ?
  M2_mn O10 O4 . . 2_666 136.56(12) ?
  M2_mn O10 O8 . . . 99.28(9) ?
  M2_mn O10 O12 . . . 98.06(11) ?
  M2_mn O10 O13 . . 2_666 103.06(10) ?
  M2_mn O10 O14 . . 2_666 148.34(15) ?
  M2_mn O10 M5_ca . . 1_565 101.60(10) ?
  M5_mn O10 T2_si 1_565 . 2_666 111.06(14) ?
  M5_mn O10 O1 1_565 . . 50.71(7) ?
  M5_mn O10 O4 1_565 . 2_666 121.57(11) ?
  M5_mn O10 O8 1_565 . . 46.24(7) ?
  M5_mn O10 O12 1_565 . . 100.16(10) ?
  M5_mn O10 O13 1_565 . 2_666 123.09(14) ?
  M5_mn O10 O14 1_565 . 2_666 73.01(9) ?
  M5_mn O10 M5_ca 1_565 . 1_565 0.0(5) ?
  T2_si O10 O1 2_666 . . 153.94(17) ?
  T2_si O10 O4 2_666 . 2_666 31.15(9) ?
  T2_si O10 O8 2_666 . . 123.03(13) ?
  T2_si O10 O12 2_666 . . 102.20(13) ?
  T2_si O10 O13 2_666 . 2_666 35.64(8) ?
  T2_si O10 O14 2_666 . 2_666 38.29(8) ?
  T2_si O10 M5_ca 2_666 . 1_565 111.06(14) ?
  O1 O10 O4 . . 2_666 168.12(12) ?
  O1 O10 O8 . . . 61.30(8) ?
  O1 O10 O12 . . . 99.77(10) ?
  O1 O10 O13 . . 2_666 132.28(13) ?
  O1 O10 O14 . . 2_666 118.66(12) ?
  O1 O10 M5_ca . . 1_565 50.71(7) ?
  O4 O10 O8 2_666 . . 106.83(10) ?
  O4 O10 O12 2_666 . . 71.56(9) ?
  O4 O10 O13 2_666 . 2_666 58.65(9) ?
  O4 O10 O14 2_666 . 2_666 60.28(9) ?
  O4 O10 M5_ca 2_666 . 1_565 121.57(11) ?
  O8 O10 O12 . . . 54.50(8) ?
  O8 O10 O13 . . 2_666 157.17(12) ?
  O8 O10 O14 . . 2_666 98.50(10) ?
  O8 O10 M5_ca . . 1_565 46.24(7) ?
  O12 O10 O13 . . 2_666 125.60(11) ?
  O12 O10 O14 . . 2_666 113.59(11) ?
  O12 O10 M5_ca . . 1_565 100.16(10) ?
  O13 O10 O14 2_666 . 2_666 59.48(9) ?
  O13 O10 M5_ca 2_666 . 1_565 123.09(14) ?
  O14 O10 M5_ca 2_666 . 1_565 73.01(9) ?
  M1_mn O11 M1_mn 1_554 . 2_776 101.08(10) ?
  M1_mn O11 M4_mn 1_554 . 2_766 91.47(9) ?
  M1_mn O11 T4_si 1_554 . . 127.93(12) ?
  M1_mn O11 O5 1_554 . . 127.46(10) ?
  M1_mn O11 O9 1_554 . 2_666 93.53(9) ?
  M1_mn O11 O11 1_554 . 2_775 48.22(7) ?
  M1_mn O11 O15 1_554 . . 146.38(11) ?
  M1_mn O11 M4_mg 1_554 . 2_766 91.47(9) ?
  M1_mn O11 M4_mn 2_776 . 2_766 106.19(9) ?
  M1_mn O11 T4_si 2_776 . . 112.50(12) ?
  M1_mn O11 O5 2_776 . . 131.23(12) ?
  M1_mn O11 O9 2_776 . 2_666 115.97(10) ?
  M1_mn O11 O11 2_776 . 2_775 52.86(7) ?
  M1_mn O11 O15 2_776 . . 78.97(8) ?
  M1_mn O11 M4_mg 2_776 . 2_766 106.19(9) ?
  M4_mn O11 T4_si 2_766 . . 114.35(14) ?
  M4_mn O11 O5 2_766 . . 79.81(10) ?
  M4_mn O11 O9 2_766 . 2_666 135.60(12) ?
  M4_mn O11 O11 2_766 . 2_775 103.46(10) ?
  M4_mn O11 O15 2_766 . . 121.12(12) ?
  M4_mn O11 M4_mg 2_766 . 2_766 0.0(5) ?
  T4_si O11 O5 . . . 34.95(8) ?
  T4_si O11 O9 . . 2_666 36.39(8) ?
  T4_si O11 O11 . . 2_775 142.19(14) ?
  T4_si O11 O15 . . . 34.10(7) ?
  T4_si O11 M4_mg . . 2_766 114.35(14) ?
  O5 O11 O9 . . 2_666 62.47(9) ?
  O5 O11 O11 . . 2_775 174.17(11) ?
  O5 O11 O15 . . . 58.66(9) ?
  O5 O11 M4_mg . . 2_766 79.81(10) ?
  O9 O11 O11 2_666 . 2_775 112.50(11) ?
  O9 O11 O15 2_666 . . 58.21(8) ?
  O9 O11 M4_mg 2_666 . 2_766 135.60(12) ?
  O11 O11 O15 2_775 . . 122.07(11) ?
  O11 O11 M4_mg 2_775 . 2_766 103.46(10) ?
  O15 O11 M4_mg . . 2_766 121.12(12) ?
  M3_mn O12 T1_si 2_666 . 2_666 97.74(11) ?
  M3_mn O12 T3_si 2_666 . . 128.51(11) ?
  M3_mn O12 O2 2_666 . . 152.27(11) ?
  M3_mn O12 O5 2_666 . 2_666 48.88(7) ?
  M3_mn O12 O6 2_666 . 2_666 59.06(7) ?
  M3_mn O12 O7 2_666 . . 119.35(10) ?
  M3_mn O12 O8 2_666 . . 118.08(11) ?
  M3_mn O12 O9 2_666 . 2_667 107.18(10) ?
  M3_mn O12 O10 2_666 . . 93.06(9) ?
  M3_mn O12 O13 2_666 . . 93.20(8) ?
  T1_si O12 T3_si 2_666 . . 133.74(14) ?
  T1_si O12 O2 2_666 . . 101.47(11) ?
  T1_si O12 O5 2_666 . 2_666 85.53(10) ?
  T1_si O12 O6 2_666 . 2_666 38.69(7) ?
  T1_si O12 O7 2_666 . . 127.53(13) ?
  T1_si O12 O8 2_666 . . 32.70(7) ?
  T1_si O12 O9 2_666 . 2_667 38.18(8) ?
  T1_si O12 O10 2_666 . . 87.93(11) ?
  T1_si O12 O13 2_666 . . 162.27(15) ?
  T3_si O12 O2 . . . 36.50(8) ?
  T3_si O12 O5 . . 2_666 122.98(14) ?
  T3_si O12 O6 . . 2_666 172.40(12) ?
  T3_si O12 O7 . . . 33.28(8) ?
  T3_si O12 O8 . . . 108.63(11) ?
  T3_si O12 O9 . . 2_667 114.08(12) ?
  T3_si O12 O10 . . . 89.15(11) ?
  T3_si O12 O13 . . . 37.44(7) ?
  O2 O12 O5 . . 2_666 152.06(13) ?
  O2 O12 O6 . . 2_666 136.71(11) ?
  O2 O12 O7 . . . 61.99(9) ?
  O2 O12 O8 . . . 72.53(9) ?
  O2 O12 O9 . . 2_667 100.27(10) ?
  O2 O12 O10 . . . 68.03(9) ?
  O2 O12 O13 . . . 63.79(8) ?
  O5 O12 O6 2_666 . 2_666 61.53(9) ?
  O5 O12 O7 2_666 . . 92.17(11) ?
  O5 O12 O8 2_666 . . 118.23(10) ?
  O5 O12 O9 2_666 . 2_667 68.65(9) ?
  O5 O12 O10 2_666 . . 139.74(11) ?
  O5 O12 O13 2_666 . . 112.13(10) ?
  O6 O12 O7 2_666 . . 147.20(13) ?
  O6 O12 O8 2_666 . . 64.25(8) ?
  O6 O12 O9 2_666 . 2_667 60.68(9) ?
  O6 O12 O10 2_666 . . 89.70(11) ?
  O6 O12 O13 2_666 . . 149.08(12) ?
  O7 O12 O8 . . . 121.53(10) ?
  O7 O12 O9 . . 2_667 92.81(11) ?
  O7 O12 O10 . . . 122.42(11) ?
  O7 O12 O13 . . . 56.18(9) ?
  O8 O12 O9 . . 2_667 60.40(9) ?
  O8 O12 O10 . . . 63.28(9) ?
  O8 O12 O13 . . . 129.60(12) ?
  O9 O12 O10 2_667 . . 123.29(11) ?
  O9 O12 O13 2_667 . . 148.76(13) ?
  O10 O12 O13 . . . 77.56(10) ?
  M5_mn O13 T2_si . . . 112.94(12) ?
  M5_mn O13 T3_si . . . 87.91(11) ?
  M5_mn O13 O2 . . . 107.11(10) ?
  M5_mn O13 O4 . . . 130.16(11) ?
  M5_mn O13 O7 . . . 48.78(8) ?
  M5_mn O13 O10 . . 2_666 115.16(10) ?
  M5_mn O13 O12 . . . 103.69(10) ?
  M5_mn O13 O14 . . . 75.26(9) ?
  M5_mn O13 M5_ca . . . 0.0(5) ?
  T2_si O13 T3_si . . . 146.26(17) ?
  T2_si O13 O2 . . . 114.21(13) ?
  T2_si O13 O4 . . . 35.30(8) ?
  T2_si O13 O7 . . . 149.97(16) ?
  T2_si O13 O10 . . 2_666 34.98(8) ?
  T2_si O13 O12 . . . 142.65(16) ?
  T2_si O13 O14 . . . 38.18(9) ?
  T2_si O13 M5_ca . . . 112.94(12) ?
  T3_si O13 O2 . . . 32.06(8) ?
  T3_si O13 O4 . . . 111.00(13) ?
  T3_si O13 O7 . . . 39.15(9) ?
  T3_si O13 O10 . . 2_666 154.60(16) ?
  T3_si O13 O12 . . . 37.93(8) ?
  T3_si O13 O14 . . . 142.67(15) ?
  T3_si O13 M5_ca . . . 87.91(11) ?
  O2 O13 O4 . . . 79.04(10) ?
  O2 O13 O7 . . . 62.73(9) ?
  O2 O13 O10 . . 2_666 135.27(14) ?
  O2 O13 O12 . . . 58.52(8) ?
  O2 O13 O14 . . . 122.77(11) ?
  O2 O13 M5_ca . . . 107.11(10) ?
  O4 O13 O7 . . . 131.84(12) ?
  O4 O13 O10 . . 2_666 63.04(9) ?
  O4 O13 O12 . . . 119.70(12) ?
  O4 O13 O14 . . . 61.72(9) ?
  O4 O13 M5_ca . . . 130.16(11) ?
  O7 O13 O10 . . 2_666 161.96(14) ?
  O7 O13 O12 . . . 64.15(9) ?
  O7 O13 O14 . . . 115.47(13) ?
  O7 O13 M5_ca . . . 48.78(8) ?
  O10 O13 O12 2_666 . . 120.83(12) ?
  O10 O13 O14 2_666 . . 59.04(9) ?
  O10 O13 M5_ca 2_666 . . 115.16(10) ?
  O12 O13 O14 . . . 178.48(14) ?
  O12 O13 M5_ca . . . 103.69(10) ?
  O14 O13 M5_ca . . . 75.26(9) ?
  M5_mn O14 T2_si 2_656 . . 83.06(10) ?
  M5_mn O14 T5_si 2_656 . 1_545 96.69(10) ?
  M5_mn O14 O1 2_656 . 2_766 115.12(10) ?
  M5_mn O14 O3 2_656 . 1_545 104.25(8) ?
  M5_mn O14 O4 2_656 . . 102.03(10) ?
  M5_mn O14 O10 2_656 . 2_666 46.17(7) ?
  M5_mn O14 O13 2_656 . . 101.74(10) ?
  M5_mn O14 O15 2_656 . 1_545 59.04(7) ?
  M5_mn O14 M5_ca 2_656 . 2_656 0.0(5) ?
  T2_si O14 T5_si . . 1_545 139.06(18) ?
  T2_si O14 O1 . . 2_766 109.00(14) ?
  T2_si O14 O3 . . 1_545 170.12(15) ?
  T2_si O14 O4 . . . 34.41(8) ?
  T2_si O14 O10 . . 2_666 37.05(8) ?
  T2_si O14 O13 . . . 37.64(8) ?
  T2_si O14 O15 . . 1_545 119.08(15) ?
  T2_si O14 M5_ca . . 2_656 83.06(10) ?
  T5_si O14 O1 1_545 . 2_766 34.88(8) ?
  T5_si O14 O3 1_545 . 1_545 34.68(9) ?
  T5_si O14 O4 1_545 . . 107.82(14) ?
  T5_si O14 O10 1_545 . 2_666 130.60(15) ?
  T5_si O14 O13 1_545 . . 159.77(14) ?
  T5_si O14 O15 1_545 . 1_545 38.55(8) ?
  T5_si O14 M5_ca 1_545 . 2_656 96.69(10) ?
  O1 O14 O3 2_766 . 1_545 62.03(9) ?
  O1 O14 O4 2_766 . . 74.98(10) ?
  O1 O14 O10 2_766 . 2_666 122.40(13) ?
  O1 O14 O13 2_766 . . 126.78(11) ?
  O1 O14 O15 2_766 . 1_545 60.02(8) ?
  O1 O14 M5_ca 2_766 . 2_656 115.12(10) ?
  O3 O14 O4 1_545 . . 135.97(12) ?
  O3 O14 O10 1_545 . 2_666 150.32(11) ?
  O3 O14 O13 1_545 . . 143.35(14) ?
  O3 O14 O15 1_545 . 1_545 61.32(9) ?
  O3 O14 M5_ca 1_545 . 2_656 104.25(8) ?
  O4 O14 O10 . . 2_666 63.35(10) ?
  O4 O14 O13 . . . 60.27(9) ?
  O4 O14 O15 . . 1_545 105.69(12) ?
  O4 O14 M5_ca . . 2_656 102.03(10) ?
  O10 O14 O13 2_666 . . 61.48(9) ?
  O10 O14 O15 2_666 . 1_545 94.24(11) ?
  O10 O14 M5_ca 2_666 . 2_656 46.17(7) ?
  O13 O14 O15 . . 1_545 155.14(14) ?
  O13 O14 M5_ca . . 2_656 101.74(10) ?
  O15 O14 M5_ca 1_545 . 2_656 59.04(7) ?
  M5_mn O15 T4_si 2_666 . . 128.34(11) ?
  M5_mn O15 T5_si 2_666 . . 101.63(10) ?
  M5_mn O15 O1 2_666 . 2_776 121.73(9) ?
  M5_mn O15 O3 2_666 . . 107.75(10) ?
  M5_mn O15 O5 2_666 . . 131.46(10) ?
  M5_mn O15 O9 2_666 . 2_666 91.45(9) ?
  M5_mn O15 O11 2_666 . . 142.49(12) ?
  M5_mn O15 O14 2_666 . 1_565 64.78(8) ?
  M5_mn O15 M5_ca 2_666 . 2_666 0.0(5) ?
  T4_si O15 T5_si . . . 129.68(15) ?
  T4_si O15 O1 . . 2_776 105.71(12) ?
  T4_si O15 O3 . . . 111.85(13) ?
  T4_si O15 O5 . . . 35.26(8) ?
  T4_si O15 O9 . . 2_666 37.58(8) ?
  T4_si O15 O11 . . . 33.56(7) ?
  T4_si O15 O14 . . 1_565 166.74(14) ?
  T4_si O15 M5_ca . . 2_666 128.34(11) ?
  T5_si O15 O1 . . 2_776 36.31(8) ?
  T5_si O15 O3 . . . 34.30(8) ?
  T5_si O15 O5 . . . 108.15(13) ?
  T5_si O15 O9 . . 2_666 166.83(14) ?
  T5_si O15 O11 . . . 108.05(11) ?
  T5_si O15 O14 . . 1_565 37.80(8) ?
  T5_si O15 M5_ca . . 2_666 101.63(10) ?
  O1 O15 O3 2_776 . . 62.20(9) ?
  O1 O15 O5 2_776 . . 104.56(10) ?
  O1 O15 O9 2_776 . 2_666 133.52(12) ?
  O1 O15 O11 2_776 . . 75.66(9) ?
  O1 O15 O14 2_776 . 1_565 61.46(9) ?
  O1 O15 M5_ca 2_776 . 2_666 121.73(9) ?
  O3 O15 O5 . . . 80.07(10) ?
  O3 O15 O9 . . 2_666 141.88(12) ?
  O3 O15 O11 . . . 109.71(11) ?
  O3 O15 O14 . . 1_565 60.38(9) ?
  O3 O15 M5_ca . . 2_666 107.75(10) ?
  O5 O15 O9 . . 2_666 62.93(9) ?
  O5 O15 O11 . . . 58.71(9) ?
  O5 O15 O14 . . 1_565 140.30(14) ?
  O5 O15 M5_ca . . 2_666 131.46(10) ?
  O9 O15 O11 2_666 . . 59.40(8) ?
  O9 O15 O14 2_666 . 1_565 154.30(13) ?
  O9 O15 M5_ca 2_666 . 2_666 91.45(9) ?
  O11 O15 O14 . . 1_565 135.72(11) ?
  O11 O15 M5_ca . . 2_666 142.49(12) ?
  O14 O15 M5_ca 1_565 . 2_666 64.78(8) ?
  M4_mn M4_mg T1_si . . 1_556 0 ?
  M4_mn M4_mg O5 . . 1_556 0 ?
  M4_mn M4_mg O6 . . 1_556 0 ?
  M4_mn M4_mg O7 . . . 0 ?
  M4_mn M4_mg O8 . . 1_545 0 ?
  M4_mn M4_mg O9 . . . 0 ?
  M4_mn M4_mg O11 . . 2_766 0 ?
  T1_si M4_mg O5 1_556 . 1_556 80.26(8) ?
  T1_si M4_mg O6 1_556 . 1_556 33.94(6) ?
  T1_si M4_mg O7 1_556 . . 125.98(7) ?
  T1_si M4_mg O8 1_556 . 1_545 79.58(5) ?
  T1_si M4_mg O9 1_556 . . 35.05(6) ?
  T1_si M4_mg O11 1_556 . 2_766 118.47(8) ?
  O5 M4_mg O6 1_556 . 1_556 81.37(9) ?
  O5 M4_mg O7 1_556 . . 113.39(11) ?
  O5 M4_mg O8 1_556 . 1_545 159.77(9) ?
  O5 M4_mg O9 1_556 . . 89.89(9) ?
  O5 M4_mg O11 1_556 . 2_766 115.98(9) ?
  O6 M4_mg O7 1_556 . . 155.43(9) ?
  O6 M4_mg O8 1_556 . 1_545 82.92(8) ?
  O6 M4_mg O9 1_556 . . 68.49(8) ?
  O6 M4_mg O11 1_556 . 2_766 87.25(9) ?
  O7 M4_mg O8 . . 1_545 77.66(9) ?
  O7 M4_mg O9 . . . 91.18(9) ?
  O7 M4_mg O11 . . 2_766 102.21(10) ?
  O8 M4_mg O9 1_545 . . 72.47(7) ?
  O8 M4_mg O11 1_545 . 2_766 75.77(7) ?
  O9 M4_mg O11 . . 2_766 141.85(10) ?
  M5_mn M5_ca O1 . . 1_545 0 ?
  M5_mn M5_ca O7 . . . 0 ?
  M5_mn M5_ca O8 . . 1_545 0 ?
  M5_mn M5_ca O10 . . 1_545 0 ?
  M5_mn M5_ca O13 . . . 0 ?
  M5_mn M5_ca O14 . . 2_656 0 ?
  M5_mn M5_ca O15 . . 2_666 0 ?
  O1 M5_ca O7 1_545 . . 95.06(9) ?
  O1 M5_ca O8 1_545 . 1_545 85.46(9) ?
  O1 M5_ca O10 1_545 . 1_545 81.09(8) ?
  O1 M5_ca O13 1_545 . . 107.45(9) ?
  O1 M5_ca O14 1_545 . 2_656 134.35(7) ?
  O1 M5_ca O15 1_545 . 2_666 167.59(8) ?
  O7 M5_ca O8 . . 1_545 91.10(9) ?
  O7 M5_ca O10 . . 1_545 176.14(10) ?
  O7 M5_ca O13 . . . 61.18(9) ?
  O7 M5_ca O14 . . 2_656 122.74(9) ?
  O7 M5_ca O15 . . 2_666 80.25(8) ?
  O8 M5_ca O10 1_545 . 1_545 88.36(10) ?
  O8 M5_ca O13 1_545 . . 149.75(8) ?
  O8 M5_ca O14 1_545 . 2_656 115.35(8) ?
  O8 M5_ca O15 1_545 . 2_666 83.16(8) ?
  O10 M5_ca O13 1_545 . . 120.13(9) ?
  O10 M5_ca O14 1_545 . 2_656 60.82(8) ?
  O10 M5_ca O15 1_545 . 2_666 103.48(8) ?
  O13 M5_ca O14 . . 2_656 75.38(7) ?
  O13 M5_ca O15 . . 2_666 80.48(8) ?
  O14 M5_ca O15 2_656 . 2_666 56.18(7) ?


loop_
 _geom_torsion_atom_site_label_1
 _geom_torsion_atom_site_label_2
 _geom_torsion_atom_site_label_3
 _geom_torsion_atom_site_label_4
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion
 _geom_torsion_publ_flag
 ? ? ? ? ? ? ? ? ? ?

loop_
 _geom_hbond_atom_site_label_D
 _geom_hbond_atom_site_label_H
 _geom_hbond_atom_site_label_A
 _geom_hbond_site_symmetry_D
 _geom_hbond_site_symmetry_H
 _geom_hbond_site_symmetry_A
 _geom_hbond_distance_DH
 _geom_hbond_distance_HA
 _geom_hbond_distance_DA
 _geom_hbond_angle_DHA
 _geom_hbond_publ_flag
 ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 11. STRUCTURE-FACTOR LIST



