 
data_magnesiohogbomite6N12S
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         'Aluminium iron magnesium titanium oxide hydroxide'
_chemical_name_common             'magnesiohögbomite-6N12S'
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Al11.16 H Fe2.28 Mg3.04 O24 Ti0.52' 
_chemical_formula_weight          912.25

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al'  'Al'   0.0645   0.0514
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Fe'  'Fe'   0.3463   0.8444
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mg'  'Mg'   0.0486   0.0363
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ti'  'Ti'   0.2776   0.4457
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       trigonal
_space_group_IT_number            166
_space_group_name_H-M_alt         'R -3 m :H'
_space_group_name_Hall            '-R 3 2"'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-y, x-y, z'
 '-x+y, -x, z'
 'x-y, -y, -z'
 '-x, -x+y, -z'
 'y, x, -z'
 'x+2/3, y+1/3, z+1/3'
 '-y+2/3, x-y+1/3, z+1/3'
 '-x+y+2/3, -x+1/3, z+1/3'
 'x-y+2/3, -y+1/3, -z+1/3'
 '-x+2/3, -x+y+1/3, -z+1/3'
 'y+2/3, x+1/3, -z+1/3'
 'x+1/3, y+2/3, z+2/3'
 '-y+1/3, x-y+2/3, z+2/3'
 '-x+y+1/3, -x+2/3, z+2/3'
 'x-y+1/3, -y+2/3, -z+2/3'
 '-x+1/3, -x+y+2/3, -z+2/3'
 'y+1/3, x+2/3, -z+2/3'
 '-x, -y, -z'
 'y, -x+y, -z'
 'x-y, x, -z'
 '-x+y, y, z'
 'x, x-y, z'
 '-y, -x, z'
 '-x+2/3, -y+1/3, -z+1/3'
 'y+2/3, -x+y+1/3, -z+1/3'
 'x-y+2/3, x+1/3, -z+1/3'
 '-x+y+2/3, y+1/3, z+1/3'
 'x+2/3, x-y+1/3, z+1/3'
 '-y+2/3, -x+1/3, z+1/3'
 '-x+1/3, -y+2/3, -z+2/3'
 'y+1/3, -x+y+2/3, -z+2/3'
 'x-y+1/3, x+2/3, -z+2/3'
 '-x+y+1/3, y+2/3, z+2/3'
 'x+1/3, x-y+2/3, z+2/3'
 '-y+1/3, -x+2/3, z+2/3'
 loop_
_publ_author_name
'Lykova, I.'
'Rowe, R.'
'Poirier, G.'
'Giester, G.'
'Helwig, K.'
_cell_length_a                    5.7194(2)
_cell_length_b                    5.7194(2)
_cell_length_c                    83.069(5)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 120
_cell_volume                      2353.3(2)
_cell_formula_units_Z             6
_cell_measurement_temperature     296(2)
_cell_measurement_reflns_used     9844
_cell_measurement_theta_min       2.943
_cell_measurement_theta_max       40.245
 
_exptl_crystal_description        tabular
_exptl_crystal_colour             'dark brown'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     3.862          
_exptl_crystal_F_000              2672
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.070
_exptl_crystal_size_mid           0.050
_exptl_crystal_size_min           0.025
_exptl_absorpt_coefficient_mu     3.254
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.6834
_exptl_absorpt_correction_T_max   0.7479
_exptl_absorpt_process_details    
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction 

Reference: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       296(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'Incoatec Microfocus Source IµS'
_diffrn_measurement_device_type   'Bruker Kappa X8 APEX'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             51020
_diffrn_reflns_av_unetI/netI      0.0085
_diffrn_reflns_av_R_equivalents   0.0252
_diffrn_reflns_limit_h_min        -10
_diffrn_reflns_limit_h_max        10
_diffrn_reflns_limit_k_min        -10
_diffrn_reflns_limit_k_max        10
_diffrn_reflns_limit_l_min        -150
_diffrn_reflns_limit_l_max        150
_diffrn_reflns_theta_min          1.471
_diffrn_reflns_theta_max          40.259
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.993
_diffrn_measured_fraction_theta_full  0.987
_diffrn_reflns_Laue_measured_fraction_max    0.993
_diffrn_reflns_Laue_measured_fraction_full   0.987
_diffrn_reflns_point_group_measured_fraction_max   0.993
_diffrn_reflns_point_group_measured_fraction_full  0.987
_reflns_number_total              2011
_reflns_number_gt                 1891
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²+7.2420P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    difmap
_refine_ls_hydrogen_treatment     refall
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          2011
_refine_ls_number_parameters      113
_refine_ls_number_restraints      7
_refine_ls_R_factor_all           0.0234
_refine_ls_R_factor_gt            0.0219
_refine_ls_wR_factor_ref          0.0548
_refine_ls_wR_factor_gt           0.0539
_refine_ls_goodness_of_fit_ref    1.021
_refine_ls_restrained_S_all       1.019
_refine_ls_shift/su_max           0.005
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Mg1 Mg 0.666667 0.333333 0.35437(2) 0.00471(12) Uani 0.683(4) 6 d S T P . .
Fe1 Fe 0.666667 0.333333 0.35437(2) 0.00471(12) Uani 0.317(4) 6 d S T P . .
Mg2 Mg 0.000000 1.000000 0.36927(2) 0.00505(11) Uani 0.607(4) 6 d S T P . .
Fe2 Fe 0.000000 1.000000 0.36927(2) 0.00505(11) Uani 0.393(4) 6 d S T P . .
Mg3 Mg 1.000000 1.000000 0.47882(2) 0.00482(12) Uani 0.703(4) 6 d S T P . .
Fe3 Fe 1.000000 1.000000 0.47882(2) 0.00482(12) Uani 0.297(4) 6 d S T P . .
Mg4 Mg 0.333333 0.666667 0.46466(2) 0.00465(11) Uani 0.621(4) 6 d S T P . .
Fe4 Fe 0.333333 0.666667 0.46466(2) 0.00465(11) Uani 0.379(3) 6 d S T P . .
Mg5 Mg 0.333333 0.666667 0.42368(2) 0.00357(8) Uani 0.43 6 d S T P . .
Al5 Al 0.333333 0.666667 0.42368(2) 0.00357(8) Uani 0.4 6 d S T P . .
Fe5 Fe 0.333333 0.666667 0.42368(2) 0.00357(8) Uani 0.17 6 d S T P . .
Al6 Al 0.000000 0.500000 0.500000 0.00305(7) Uani 1 4 d S T P . .
Al7 Al 0.666667 0.333333 0.47192(2) 0.00316(9) Uani 1 6 d S T P . .
Al8 Al 0.83591(3) 0.67183(6) 0.44381(2) 0.00431(6) Uani 1 2 d S T P . .
Al9 Al 0.333333 0.666667 0.36113(2) 0.00360(9) Uani 1 6 d S T P . .
Al10 Al 0.166667 0.333333 0.333333 0.00322(7) Uani 1 4 d S T P . .
Al11 Al 0.50228(3) 0.00457(6) 0.38973(2) 0.00446(8) Uani 0.916(2) 2 d S T P . .
Fe11 Fe 0.50228(3) 0.00457(6) 0.38973(2) 0.00446(8) Uani 0.084(2) 2 d S T P . .
Ti12 Ti 1.000000 1.000000 0.41203(2) 0.00352(5) Uani 0.519(7) 6 d S T P . .
Fe12 Fe 1.000000 1.000000 0.41203(2) 0.00352(5) Uani 0.481(7) 6 d S T P . .
O1 O 0.666667 0.333333 0.43181(2) 0.0074(2) Uani 1 6 d DS T P . .
H1 H 0.666667 0.333333 0.4210(5) 0.09(2) Uiso 1 6 d DS . P . .
O2 O 0.000000 1.000000 0.34563(2) 0.00480(18) Uani 1 6 d S T P . .
O3 O 0.666667 0.333333 0.51193(2) 0.00470(18) Uani 1 6 d S T P . .
O4 O 0.666667 0.333333 0.37787(2) 0.00559(18) Uani 1 6 d S T P . .
O5 O 0.333333 0.666667 0.40153(2) 0.0070(2) Uani 1 6 d S T P . .
O6 O 1.000000 1.000000 0.45549(2) 0.00642(19) Uani 1 6 d S T P . .
O7 O -0.03696(16) 0.48152(8) 0.45722(2) 0.00715(12) Uani 1 2 d S T P . .
O8 O 0.33719(15) 0.16860(8) 0.40142(2) 0.00632(11) Uani 1 2 d S T P . .
O9 O 0.81463(7) 0.18537(7) 0.48681(2) 0.00416(10) Uani 1 2 d S T P . .
O10 O 0.03746(14) 0.51873(7) 0.34630(2) 0.00408(10) Uani 1 2 d S T P . .
O11 O 0.18570(8) 0.37140(17) 0.37557(2) 0.00761(12) Uani 1 2 d S T P . .
O12 O 0.68630(17) 0.84315(9) 0.43047(2) 0.00851(12) Uani 1 2 d S T P . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Mg1 O4 1.9517(13) . ?
Mg1 O10 1.9552(8) 3 ?
Mg1 O10 1.9552(8) 1_655 ?
Mg1 O10 1.9552(7) 2_665 ?
Mg1 Al9 3.34946(16) . ?
Mg1 Al9 3.34948(16) 1_655 ?
Mg1 Al9 3.34948(15) 1_545 ?
Mg1 Mg1 3.4954(8) 31_655 ?
Mg1 Mg2 3.5264(2) 1_645 ?
Mg1 Mg2 3.5264(2) 1_655 ?
Mg1 Mg2 3.5264(2) 1_545 ?
Mg2 O11 1.9126(9) 3_565 ?
Mg2 O11 1.9127(9) 1_565 ?
Mg2 O11 1.9127(9) 2_565 ?
Mg2 O2 1.9634(13) . ?
Mg2 Al11 3.3265(3) 1_565 ?
Mg2 Al11 3.3265(3) 2_565 ?
Mg2 Al11 3.3265(3) 3_565 ?
Mg2 Al11 3.3266(3) 3_675 ?
Mg2 Al11 3.3265(3) 1_465 ?
Mg2 Al11 3.3265(3) 2 ?
Mg3 O6 1.9384(14) . ?
Mg3 O9 1.9527(8) 3_775 ?
Mg3 O9 1.9527(8) 2_655 ?
Mg3 O9 1.9527(7) 1_565 ?
Mg3 Al8 3.3322(5) . ?
Mg3 Al8 3.3325(5) 3_675 ?
Mg3 Al8 3.3325(5) 2_765 ?
Mg3 Mg4 3.5054(2) . ?
Mg3 Mg4 3.5054(2) 1_665 ?
Mg3 Mg4 3.5054(2) 1_655 ?
Mg3 Mg3 3.5186(9) 19_776 ?
Mg4 O7 1.9354(9) 3_565 ?
Mg4 O7 1.9354(8) 2_665 ?
Mg4 O7 1.9355(9) . ?
Mg4 O3 1.9443(13) 19_666 ?
Mg4 Al8 3.3437(3) . ?
Mg4 Al8 3.3438(3) 3_565 ?
Mg4 Al8 3.3438(3) 1_455 ?
Mg4 Al8 3.3438(3) 2_665 ?
Mg4 Al8 3.3438(3) 3_675 ?
Mg4 Al8 3.3438(3) 2_655 ?
Mg4 Mg5 3.4043(6) . ?
Mg5 O12 1.8371(9) 2_665 ?
Mg5 O12 1.8371(9) 3_565 ?
Mg5 O12 1.8371(9) . ?
Mg5 O5 1.8403(14) . ?
Mg5 Al11 3.2798(5) 2 ?
Mg5 Al11 3.2798(5) 1_565 ?
Mg5 Al11 3.2798(5) 3_665 ?
Mg5 Al8 3.3125(3) 3_675 ?
Mg5 Al8 3.3125(3) 2_665 ?
Mg5 Al8 3.3125(3) 1_455 ?
Mg5 Al8 3.3125(3) 3_565 ?
Mg5 Al8 3.3125(3) 2_655 ?
Al6 O9 1.9115(5) 19_666 ?
Al6 O9 1.9115(5) 1_455 ?
Al6 O9 1.9115(5) 20_566 ?
Al6 O9 1.9115(5) 2 ?
Al6 O3 1.9258(6) 19_666 ?
Al6 O3 1.9258(6) 1_455 ?
Al6 Al7 2.8575(4) 1_455 ?
Al6 Al7 2.8575(4) 19_666 ?
Al6 Al6 2.85970(10) 3_455 ?
Al6 Al6 2.85970(10) 3_565 ?
Al6 Al6 2.85970(10) 2_665 ?
Al6 Al6 2.85970(11) 2_565 ?
Al7 O7 1.9096(8) 3 ?
Al7 O7 1.9096(9) 1_655 ?
Al7 O7 1.9096(8) 2_665 ?
Al7 O9 1.9178(8) . ?
Al7 O9 1.9180(8) 2_655 ?
Al7 O9 1.9180(8) 3_665 ?
Al7 Al8 2.8753(5) . ?
Al7 Al8 2.8755(5) 3_665 ?
Al7 Al8 2.8755(5) 2_655 ?
Al8 O6 1.8931(7) . ?
Al8 O7 1.9357(5) 2_665 ?
Al8 O7 1.9357(5) 1_655 ?
Al8 O12 1.9383(6) . ?
Al8 O12 1.9384(6) 2_765 ?
Al8 O1 1.9504(7) . ?
Al8 Al8 2.8154(6) 2_765 ?
Al8 Al8 2.8154(6) 3_675 ?
Al8 Al8 2.9040(6) 2_655 ?
Al8 Al8 2.9040(6) 3_665 ?
Al8 Ti12 3.0997(4) . ?
Al9 O11 1.8916(9) 2_665 ?
Al9 O11 1.8917(8) 3_565 ?
Al9 O11 1.8917(9) . ?
Al9 O10 1.9146(8) 3_565 ?
Al9 O10 1.9146(8) 2_665 ?
Al9 O10 1.9146(8) . ?
Al9 Al10 2.8383(4) 2_665 ?
Al9 Al10 2.8383(4) 3_565 ?
Al9 Al10 2.8385(4) . ?
Al9 Al11 2.9059(5) 1_565 ?
Al9 Al11 2.9059(5) 2 ?
Al9 Al11 2.9059(5) 3_665 ?
Al10 O10 1.9010(4) 2_665 ?
Al10 O10 1.9010(4) . ?
Al10 O10 1.9011(4) 32_445 ?
Al10 O10 1.9011(4) 31 ?
Al10 O2 1.9417(7) 1_545 ?
Al10 O2 1.9418(7) 31_565 ?
Al10 Al10 2.85968(10) 3 ?
Al10 Al10 2.85970(10) 2_665 ?
Al10 Al10 2.85970(10) 2 ?
Al10 Al10 2.85972(10) 3_565 ?
Al11 O8 1.8974(5) 2_655 ?
Al11 O8 1.8975(5) . ?
Al11 O4 1.9032(7) . ?
Al11 O5 1.9397(7) 1_545 ?
Al11 O11 1.9684(6) 2_655 ?
Al11 O11 1.9685(6) 3 ?
Al11 Al11 2.8205(5) 2_655 ?
Al11 Al11 2.8205(5) 3_665 ?
Al11 Al11 2.8989(5) 3_655 ?
Al11 Al11 2.8989(5) 2_545 ?
Ti12 O8 1.8888(8) 3_665 ?
Ti12 O8 1.8888(8) 1_665 ?
Ti12 O8 1.8888(8) 2_665 ?
Ti12 O12 2.1819(8) 3_675 ?
Ti12 O12 2.1819(8) 2_765 ?
Ti12 O12 2.1820(8) . ?
O1 H1 0.89(4) . ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
O4 Mg1 O10 110.06(2) . 3 ?
O4 Mg1 O10 110.06(2) . 1_655 ?
O10 Mg1 O10 108.87(2) 3 1_655 ?
O4 Mg1 O10 110.06(2) . 2_665 ?
O10 Mg1 O10 108.87(2) 3 2_665 ?
O10 Mg1 O10 108.87(2) 1_655 2_665 ?
O4 Mg1 Al9 80.354(11) . . ?
O10 Mg1 Al9 121.366(4) 3 . ?
O10 Mg1 Al9 121.366(4) 1_655 . ?
O10 Mg1 Al9 29.71(2) 2_665 . ?
O4 Mg1 Al9 80.352(11) . 1_655 ?
O10 Mg1 Al9 121.366(4) 3 1_655 ?
O10 Mg1 Al9 29.71(2) 1_655 1_655 ?
O10 Mg1 Al9 121.367(4) 2_665 1_655 ?
Al9 Mg1 Al9 117.250(6) . 1_655 ?
O4 Mg1 Al9 80.352(11) . 1_545 ?
O10 Mg1 Al9 29.71(2) 3 1_545 ?
O10 Mg1 Al9 121.366(4) 1_655 1_545 ?
O10 Mg1 Al9 121.367(4) 2_665 1_545 ?
Al9 Mg1 Al9 117.250(6) . 1_545 ?
Al9 Mg1 Al9 117.249(6) 1_655 1_545 ?
O4 Mg1 Mg1 180.0 . 31_655 ?
O10 Mg1 Mg1 69.94(2) 3 31_655 ?
O10 Mg1 Mg1 69.94(2) 1_655 31_655 ?
O10 Mg1 Mg1 69.94(2) 2_665 31_655 ?
Al9 Mg1 Mg1 99.647(11) . 31_655 ?
Al9 Mg1 Mg1 99.647(11) 1_655 31_655 ?
Al9 Mg1 Mg1 99.647(11) 1_545 31_655 ?
O4 Mg1 Mg2 69.454(9) . 1_645 ?
O10 Mg1 Mg2 71.374(11) 3 1_645 ?
O10 Mg1 Mg2 71.374(11) 1_655 1_645 ?
O10 Mg1 Mg2 179.52(3) 2_665 1_645 ?
Al9 Mg1 Mg2 149.808(17) . 1_645 ?
Al9 Mg1 Mg2 58.641(3) 1_655 1_645 ?
Al9 Mg1 Mg2 58.641(3) 1_545 1_645 ?
Mg1 Mg1 Mg2 110.545(9) 31_655 1_645 ?
O4 Mg1 Mg2 69.454(9) . 1_655 ?
O10 Mg1 Mg2 179.52(3) 3 1_655 ?
O10 Mg1 Mg2 71.374(11) 1_655 1_655 ?
O10 Mg1 Mg2 71.374(11) 2_665 1_655 ?
Al9 Mg1 Mg2 58.642(3) . 1_655 ?
Al9 Mg1 Mg2 58.642(4) 1_655 1_655 ?
Al9 Mg1 Mg2 149.807(17) 1_545 1_655 ?
Mg1 Mg1 Mg2 110.546(9) 31_655 1_655 ?
Mg2 Mg1 Mg2 108.376(9) 1_645 1_655 ?
O4 Mg1 Mg2 69.454(9) . 1_545 ?
O10 Mg1 Mg2 71.374(11) 3 1_545 ?
O10 Mg1 Mg2 179.52(3) 1_655 1_545 ?
O10 Mg1 Mg2 71.374(11) 2_665 1_545 ?
Al9 Mg1 Mg2 58.642(3) . 1_545 ?
Al9 Mg1 Mg2 149.807(17) 1_655 1_545 ?
Al9 Mg1 Mg2 58.642(4) 1_545 1_545 ?
Mg1 Mg1 Mg2 110.546(9) 31_655 1_545 ?
Mg2 Mg1 Mg2 108.376(9) 1_645 1_545 ?
Mg2 Mg1 Mg2 108.376(9) 1_655 1_545 ?
O11 Mg2 O11 112.81(2) 3_565 1_565 ?
O11 Mg2 O11 112.81(2) 3_565 2_565 ?
O11 Mg2 O11 112.80(2) 1_565 2_565 ?
O11 Mg2 O2 105.89(2) 3_565 . ?
O11 Mg2 O2 105.89(2) 1_565 . ?
O11 Mg2 O2 105.89(2) 2_565 . ?
O11 Mg2 Al11 31.503(14) 3_565 1_565 ?
O11 Mg2 Al11 81.584(14) 1_565 1_565 ?
O11 Mg2 Al11 125.42(2) 2_565 1_565 ?
O2 Mg2 Al11 120.718(7) . 1_565 ?
O11 Mg2 Al11 125.42(2) 3_565 2_565 ?
O11 Mg2 Al11 31.503(14) 1_565 2_565 ?
O11 Mg2 Al11 81.583(14) 2_565 2_565 ?
O2 Mg2 Al11 120.718(7) . 2_565 ?
Al11 Mg2 Al11 96.234(9) 1_565 2_565 ?
O11 Mg2 Al11 81.583(14) 3_565 3_565 ?
O11 Mg2 Al11 125.41(2) 1_565 3_565 ?
O11 Mg2 Al11 31.504(14) 2_565 3_565 ?
O2 Mg2 Al11 120.718(7) . 3_565 ?
Al11 Mg2 Al11 96.234(10) 1_565 3_565 ?
Al11 Mg2 Al11 96.234(10) 2_565 3_565 ?
O11 Mg2 Al11 81.583(14) 3_565 3_675 ?
O11 Mg2 Al11 31.504(14) 1_565 3_675 ?
O11 Mg2 Al11 125.42(2) 2_565 3_675 ?
O2 Mg2 Al11 120.718(7) . 3_675 ?
Al11 Mg2 Al11 50.167(11) 1_565 3_675 ?
Al11 Mg2 Al11 51.663(11) 2_565 3_675 ?
Al11 Mg2 Al11 118.558(14) 3_565 3_675 ?
O11 Mg2 Al11 125.42(2) 3_565 1_465 ?
O11 Mg2 Al11 81.583(14) 1_565 1_465 ?
O11 Mg2 Al11 31.503(14) 2_565 1_465 ?
O2 Mg2 Al11 120.718(7) . 1_465 ?
Al11 Mg2 Al11 118.558(14) 1_565 1_465 ?
Al11 Mg2 Al11 50.167(11) 2_565 1_465 ?
Al11 Mg2 Al11 51.663(10) 3_565 1_465 ?
Al11 Mg2 Al11 96.235(9) 3_675 1_465 ?
O11 Mg2 Al11 31.503(14) 3_565 2 ?
O11 Mg2 Al11 125.42(2) 1_565 2 ?
O11 Mg2 Al11 81.584(14) 2_565 2 ?
O2 Mg2 Al11 120.718(7) . 2 ?
Al11 Mg2 Al11 51.663(11) 1_565 2 ?
Al11 Mg2 Al11 118.558(14) 2_565 2 ?
Al11 Mg2 Al11 50.167(10) 3_565 2 ?
Al11 Mg2 Al11 96.235(9) 3_675 2 ?
Al11 Mg2 Al11 96.235(10) 1_465 2 ?
O11 Mg2 Mg1 69.253(11) 3_565 1_455 ?
O11 Mg2 Mg1 175.34(3) 1_565 1_455 ?
O11 Mg2 Mg1 69.253(11) 2_565 1_455 ?
O2 Mg2 Mg1 69.454(9) . 1_455 ?
Al11 Mg2 Mg1 100.699(6) 1_565 1_455 ?
Al11 Mg2 Mg1 150.835(7) 2_565 1_455 ?
Al11 Mg2 Mg1 58.598(7) 3_565 1_455 ?
Al11 Mg2 Mg1 150.836(7) 3_675 1_455 ?
Al11 Mg2 Mg1 100.699(6) 1_465 1_455 ?
Al11 Mg2 Mg1 58.598(7) 2 1_455 ?
O11 Mg2 Mg1 69.254(11) 3_565 1_565 ?
O11 Mg2 Mg1 69.253(11) 1_565 1_565 ?
O11 Mg2 Mg1 175.34(3) 2_565 1_565 ?
O2 Mg2 Mg1 69.454(9) . 1_565 ?
Al11 Mg2 Mg1 58.598(7) 1_565 1_565 ?
Al11 Mg2 Mg1 100.699(6) 2_565 1_565 ?
Al11 Mg2 Mg1 150.836(7) 3_565 1_565 ?
Al11 Mg2 Mg1 58.598(7) 3_675 1_565 ?
Al11 Mg2 Mg1 150.835(7) 1_465 1_565 ?
Al11 Mg2 Mg1 100.699(6) 2 1_565 ?
Mg1 Mg2 Mg1 108.376(9) 1_455 1_565 ?
O6 Mg3 O9 109.88(2) . 3_775 ?
O6 Mg3 O9 109.88(2) . 2_655 ?
O9 Mg3 O9 109.06(2) 3_775 2_655 ?
O6 Mg3 O9 109.88(2) . 1_565 ?
O9 Mg3 O9 109.06(2) 3_775 1_565 ?
O9 Mg3 O9 109.06(2) 2_655 1_565 ?
O6 Mg3 Al8 29.196(7) . . ?
O9 Mg3 Al8 121.75(2) 3_775 . ?
O9 Mg3 Al8 80.68(2) 2_655 . ?
O9 Mg3 Al8 121.75(2) 1_565 . ?
O6 Mg3 Al8 29.194(7) . 3_675 ?
O9 Mg3 Al8 121.75(2) 3_775 3_675 ?
O9 Mg3 Al8 121.75(2) 2_655 3_675 ?
O9 Mg3 Al8 80.69(2) 1_565 3_675 ?
Al8 Mg3 Al8 49.977(11) . 3_675 ?
O6 Mg3 Al8 29.194(7) . 2_765 ?
O9 Mg3 Al8 80.69(2) 3_775 2_765 ?
O9 Mg3 Al8 121.75(2) 2_655 2_765 ?
O9 Mg3 Al8 121.75(2) 1_565 2_765 ?
Al8 Mg3 Al8 49.977(11) . 2_765 ?
Al8 Mg3 Al8 49.975(11) 3_675 2_765 ?
O6 Mg3 Mg4 70.392(9) . . ?
O9 Mg3 Mg4 179.73(3) 3_775 . ?
O9 Mg3 Mg4 70.802(10) 2_655 . ?
O9 Mg3 Mg4 70.803(10) 1_565 . ?
Al8 Mg3 Mg4 58.486(7) . . ?
Al8 Mg3 Mg4 58.486(7) 3_675 . ?
Al8 Mg3 Mg4 99.586(14) 2_765 . ?
O6 Mg3 Mg4 70.391(9) . 1_665 ?
O9 Mg3 Mg4 70.802(10) 3_775 1_665 ?
O9 Mg3 Mg4 179.73(3) 2_655 1_665 ?
O9 Mg3 Mg4 70.803(10) 1_565 1_665 ?
Al8 Mg3 Mg4 99.587(14) . 1_665 ?
Al8 Mg3 Mg4 58.486(7) 3_675 1_665 ?
Al8 Mg3 Mg4 58.486(7) 2_765 1_665 ?
Mg4 Mg3 Mg4 109.334(9) . 1_665 ?
O6 Mg3 Mg4 70.391(9) . 1_655 ?
O9 Mg3 Mg4 70.804(11) 3_775 1_655 ?
O9 Mg3 Mg4 70.804(11) 2_655 1_655 ?
O9 Mg3 Mg4 179.73(3) 1_565 1_655 ?
Al8 Mg3 Mg4 58.485(7) . 1_655 ?
Al8 Mg3 Mg4 99.585(14) 3_675 1_655 ?
Al8 Mg3 Mg4 58.486(7) 2_765 1_655 ?
Mg4 Mg3 Mg4 109.334(9) . 1_655 ?
Mg4 Mg3 Mg4 109.333(9) 1_665 1_655 ?
O6 Mg3 Mg3 180.0 . 19_776 ?
O9 Mg3 Mg3 70.12(2) 3_775 19_776 ?
O9 Mg3 Mg3 70.12(2) 2_655 19_776 ?
O9 Mg3 Mg3 70.12(2) 1_565 19_776 ?
Al8 Mg3 Mg3 150.804(7) . 19_776 ?
Al8 Mg3 Mg3 150.806(7) 3_675 19_776 ?
Al8 Mg3 Mg3 150.806(7) 2_765 19_776 ?
Mg4 Mg3 Mg3 109.608(9) . 19_776 ?
Mg4 Mg3 Mg3 109.609(9) 1_665 19_776 ?
Mg4 Mg3 Mg3 109.609(9) 1_655 19_776 ?
O7 Mg4 O7 110.31(2) 3_565 2_665 ?
O7 Mg4 O7 110.30(2) 3_565 . ?
O7 Mg4 O7 110.30(2) 2_665 . ?
O7 Mg4 O3 108.62(2) 3_565 19_666 ?
O7 Mg4 O3 108.62(2) 2_665 19_666 ?
O7 Mg4 O3 108.63(2) . 19_666 ?
O7 Mg4 Al8 80.055(14) 3_565 . ?
O7 Mg4 Al8 30.262(13) 2_665 . ?
O7 Mg4 Al8 122.68(2) . . ?
O3 Mg4 Al8 121.207(7) 19_666 . ?
O7 Mg4 Al8 122.68(2) 3_565 3_565 ?
O7 Mg4 Al8 80.054(14) 2_665 3_565 ?
O7 Mg4 Al8 30.260(13) . 3_565 ?
O3 Mg4 Al8 121.212(7) 19_666 3_565 ?
Al8 Mg4 Al8 95.580(10) . 3_565 ?
O7 Mg4 Al8 80.054(14) 3_565 1_455 ?
O7 Mg4 Al8 122.68(2) 2_665 1_455 ?
O7 Mg4 Al8 30.260(13) . 1_455 ?
O3 Mg4 Al8 121.213(7) 19_666 1_455 ?
Al8 Mg4 Al8 117.572(15) . 1_455 ?
Al8 Mg4 Al8 51.473(11) 3_565 1_455 ?
O7 Mg4 Al8 30.263(13) 3_565 2_665 ?
O7 Mg4 Al8 122.68(2) 2_665 2_665 ?
O7 Mg4 Al8 80.051(14) . 2_665 ?
O3 Mg4 Al8 121.213(7) 19_666 2_665 ?
Al8 Mg4 Al8 95.580(10) . 2_665 ?
Al8 Mg4 Al8 95.578(10) 3_565 2_665 ?
Al8 Mg4 Al8 49.794(12) 1_455 2_665 ?
O7 Mg4 Al8 30.263(13) 3_565 3_675 ?
O7 Mg4 Al8 80.054(14) 2_665 3_675 ?
O7 Mg4 Al8 122.68(2) . 3_675 ?
O3 Mg4 Al8 121.212(7) 19_666 3_675 ?
Al8 Mg4 Al8 49.795(11) . 3_675 ?
Al8 Mg4 Al8 117.568(15) 3_565 3_675 ?
Al8 Mg4 Al8 95.578(10) 1_455 3_675 ?
Al8 Mg4 Al8 51.473(12) 2_665 3_675 ?
O7 Mg4 Al8 122.68(2) 3_565 2_655 ?
O7 Mg4 Al8 30.263(13) 2_665 2_655 ?
O7 Mg4 Al8 80.051(14) . 2_655 ?
O3 Mg4 Al8 121.211(7) 19_666 2_655 ?
Al8 Mg4 Al8 51.474(12) . 2_655 ?
Al8 Mg4 Al8 49.794(11) 3_565 2_655 ?
Al8 Mg4 Al8 95.578(10) 1_455 2_655 ?
Al8 Mg4 Al8 117.568(14) 2_665 2_655 ?
Al8 Mg4 Al8 95.578(10) 3_675 2_655 ?
O7 Mg4 Mg5 71.38(2) 3_565 . ?
O7 Mg4 Mg5 71.38(2) 2_665 . ?
O7 Mg4 Mg5 71.37(2) . . ?
O3 Mg4 Mg5 180.0 19_666 . ?
Al8 Mg4 Mg5 58.792(7) . . ?
Al8 Mg4 Mg5 58.788(7) 3_565 . ?
Al8 Mg4 Mg5 58.788(7) 1_455 . ?
Al8 Mg4 Mg5 58.788(7) 2_665 . ?
Al8 Mg4 Mg5 58.788(7) 3_675 . ?
Al8 Mg4 Mg5 58.788(7) 2_655 . ?
O7 Mg4 Mg3 70.171(11) 3_565 1_455 ?
O7 Mg4 Mg3 179.02(3) 2_665 1_455 ?
O7 Mg4 Mg3 70.175(11) . 1_455 ?
O3 Mg4 Mg3 70.396(9) 19_666 1_455 ?
Al8 Mg4 Mg3 150.226(8) . 1_455 ?
Al8 Mg4 Mg3 100.433(7) 3_565 1_455 ?
Al8 Mg4 Mg3 58.168(8) 1_455 1_455 ?
Al8 Mg4 Mg3 58.168(8) 2_665 1_455 ?
Al8 Mg4 Mg3 100.433(7) 3_675 1_455 ?
Al8 Mg4 Mg3 150.225(8) 2_655 1_455 ?
Mg5 Mg4 Mg3 109.605(9) . 1_455 ?
O12 Mg5 O12 111.01(3) 2_665 3_565 ?
O12 Mg5 O12 111.00(3) 2_665 . ?
O12 Mg5 O12 111.00(3) 3_565 . ?
O12 Mg5 O5 107.89(3) 2_665 . ?
O12 Mg5 O5 107.89(3) 3_565 . ?
O12 Mg5 O5 107.89(3) . . ?
O12 Mg5 Al11 91.22(2) 2_665 2 ?
O12 Mg5 Al11 91.22(2) 3_565 2 ?
O12 Mg5 Al11 138.58(3) . 2 ?
O5 Mg5 Al11 30.684(7) . 2 ?
O12 Mg5 Al11 91.22(2) 2_665 1_565 ?
O12 Mg5 Al11 138.57(3) 3_565 1_565 ?
O12 Mg5 Al11 91.23(2) . 1_565 ?
O5 Mg5 Al11 30.684(7) . 1_565 ?
Al11 Mg5 Al11 52.454(11) 2 1_565 ?
O12 Mg5 Al11 138.57(3) 2_665 3_665 ?
O12 Mg5 Al11 91.22(2) 3_565 3_665 ?
O12 Mg5 Al11 91.23(2) . 3_665 ?
O5 Mg5 Al11 30.684(7) . 3_665 ?
Al11 Mg5 Al11 52.454(11) 2 3_665 ?
Al11 Mg5 Al11 52.454(11) 1_565 3_665 ?
O12 Mg5 Al8 81.509(15) 2_665 3_675 ?
O12 Mg5 Al8 123.56(3) 3_565 3_675 ?
O12 Mg5 Al8 29.519(14) . 3_675 ?
O5 Mg5 Al8 120.305(8) . 3_675 ?
Al11 Mg5 Al8 144.831(11) 2 3_675 ?
Al11 Mg5 Al8 93.119(8) 1_565 3_675 ?
Al11 Mg5 Al8 115.469(7) 3_665 3_675 ?
O12 Mg5 Al8 29.521(14) 2_665 2_665 ?
O12 Mg5 Al8 123.56(3) 3_565 2_665 ?
O12 Mg5 Al8 81.507(15) . 2_665 ?
O5 Mg5 Al8 120.305(8) . 2_665 ?
Al11 Mg5 Al8 115.469(7) 2 2_665 ?
Al11 Mg5 Al8 93.119(8) 1_565 2_665 ?
Al11 Mg5 Al8 144.831(11) 3_665 2_665 ?
Al8 Mg5 Al8 51.996(12) 3_675 2_665 ?
O12 Mg5 Al8 29.521(14) 2_665 1_455 ?
O12 Mg5 Al8 81.509(15) 3_565 1_455 ?
O12 Mg5 Al8 123.56(3) . 1_455 ?
O5 Mg5 Al8 120.305(8) . 1_455 ?
Al11 Mg5 Al8 93.119(8) 2 1_455 ?
Al11 Mg5 Al8 115.469(7) 1_565 1_455 ?
Al11 Mg5 Al8 144.831(11) 3_665 1_455 ?
Al8 Mg5 Al8 96.780(11) 3_675 1_455 ?
Al8 Mg5 Al8 50.298(12) 2_665 1_455 ?
O12 Mg5 Al8 81.509(15) 2_665 3_565 ?
O12 Mg5 Al8 29.521(14) 3_565 3_565 ?
O12 Mg5 Al8 123.56(3) . 3_565 ?
O5 Mg5 Al8 120.305(8) . 3_565 ?
Al11 Mg5 Al8 93.119(8) 2 3_565 ?
Al11 Mg5 Al8 144.831(11) 1_565 3_565 ?
Al11 Mg5 Al8 115.469(7) 3_665 3_565 ?
Al8 Mg5 Al8 119.382(16) 3_675 3_565 ?
Al8 Mg5 Al8 96.780(11) 2_665 3_565 ?
Al8 Mg5 Al8 51.996(12) 1_455 3_565 ?
O12 Mg5 Al8 123.56(3) 2_665 2_655 ?
O12 Mg5 Al8 29.521(14) 3_565 2_655 ?
O12 Mg5 Al8 81.507(15) . 2_655 ?
O5 Mg5 Al8 120.305(8) . 2_655 ?
Al11 Mg5 Al8 115.469(7) 2 2_655 ?
Al11 Mg5 Al8 144.831(10) 1_565 2_655 ?
Al11 Mg5 Al8 93.119(8) 3_665 2_655 ?
Al8 Mg5 Al8 96.780(11) 3_675 2_655 ?
Al8 Mg5 Al8 119.382(16) 2_665 2_655 ?
Al8 Mg5 Al8 96.780(11) 1_455 2_655 ?
Al8 Mg5 Al8 50.298(12) 3_565 2_655 ?
O9 Al6 O9 180.00(3) 19_666 1_455 ?
O9 Al6 O9 83.22(4) 19_666 20_566 ?
O9 Al6 O9 96.78(4) 1_455 20_566 ?
O9 Al6 O9 96.78(4) 19_666 2 ?
O9 Al6 O9 83.22(4) 1_455 2 ?
O9 Al6 O9 180.00(3) 20_566 2 ?
O9 Al6 O3 83.29(3) 19_666 19_666 ?
O9 Al6 O3 96.71(3) 1_455 19_666 ?
O9 Al6 O3 83.29(3) 20_566 19_666 ?
O9 Al6 O3 96.71(3) 2 19_666 ?
O9 Al6 O3 96.71(3) 19_666 1_455 ?
O9 Al6 O3 83.29(3) 1_455 1_455 ?
O9 Al6 O3 96.71(3) 20_566 1_455 ?
O9 Al6 O3 83.29(3) 2 1_455 ?
O3 Al6 O3 180.00(6) 19_666 1_455 ?
O9 Al6 Al7 138.17(2) 19_666 1_455 ?
O9 Al6 Al7 41.83(2) 1_455 1_455 ?
O9 Al6 Al7 138.17(2) 20_566 1_455 ?
O9 Al6 Al7 41.83(2) 2 1_455 ?
O3 Al6 Al7 94.32(3) 19_666 1_455 ?
O3 Al6 Al7 85.68(3) 1_455 1_455 ?
O9 Al6 Al7 41.83(2) 19_666 19_666 ?
O9 Al6 Al7 138.17(2) 1_455 19_666 ?
O9 Al6 Al7 41.83(2) 20_566 19_666 ?
O9 Al6 Al7 138.17(2) 2 19_666 ?
O3 Al6 Al7 85.68(3) 19_666 19_666 ?
O3 Al6 Al7 94.32(3) 1_455 19_666 ?
Al7 Al6 Al7 180.000(12) 1_455 19_666 ?
O9 Al6 Al6 138.420(15) 19_666 3_455 ?
O9 Al6 Al6 41.580(15) 1_455 3_455 ?
O9 Al6 Al6 94.81(2) 20_566 3_455 ?
O9 Al6 Al6 85.19(2) 2 3_455 ?
O3 Al6 Al6 137.94(2) 19_666 3_455 ?
O3 Al6 Al6 42.06(2) 1_455 3_455 ?
Al7 Al6 Al6 59.975(5) 1_455 3_455 ?
Al7 Al6 Al6 120.025(5) 19_666 3_455 ?
O9 Al6 Al6 41.580(15) 19_666 3_565 ?
O9 Al6 Al6 138.420(15) 1_455 3_565 ?
O9 Al6 Al6 85.19(2) 20_566 3_565 ?
O9 Al6 Al6 94.81(2) 2 3_565 ?
O3 Al6 Al6 42.06(2) 19_666 3_565 ?
O3 Al6 Al6 137.94(2) 1_455 3_565 ?
Al7 Al6 Al6 120.025(5) 1_455 3_565 ?
Al7 Al6 Al6 59.975(5) 19_666 3_565 ?
Al6 Al6 Al6 180.0 3_455 3_565 ?
O9 Al6 Al6 85.18(2) 19_666 2_665 ?
O9 Al6 Al6 94.82(2) 1_455 2_665 ?
O9 Al6 Al6 41.580(15) 20_566 2_665 ?
O9 Al6 Al6 138.420(15) 2 2_665 ?
O3 Al6 Al6 42.06(2) 19_666 2_665 ?
O3 Al6 Al6 137.94(2) 1_455 2_665 ?
Al7 Al6 Al6 120.026(5) 1_455 2_665 ?
Al7 Al6 Al6 59.974(5) 19_666 2_665 ?
Al6 Al6 Al6 120.0 3_455 2_665 ?
Al6 Al6 Al6 60.0 3_565 2_665 ?
O9 Al6 Al6 94.82(2) 19_666 2_565 ?
O9 Al6 Al6 85.18(2) 1_455 2_565 ?
O9 Al6 Al6 138.420(15) 20_566 2_565 ?
O9 Al6 Al6 41.580(15) 2 2_565 ?
O3 Al6 Al6 137.94(2) 19_666 2_565 ?
O3 Al6 Al6 42.06(2) 1_455 2_565 ?
Al7 Al6 Al6 59.974(5) 1_455 2_565 ?
Al7 Al6 Al6 120.026(5) 19_666 2_565 ?
Al6 Al6 Al6 60.0 3_455 2_565 ?
Al6 Al6 Al6 120.0 3_565 2_565 ?
Al6 Al6 Al6 180.0 2_665 2_565 ?
O7 Al7 O7 83.48(4) 3 1_655 ?
O7 Al7 O7 83.48(4) 3 2_665 ?
O7 Al7 O7 83.48(4) 1_655 2_665 ?
O7 Al7 O9 96.82(2) 3 . ?
O7 Al7 O9 96.82(2) 1_655 . ?
O7 Al7 O9 179.60(4) 2_665 . ?
O7 Al7 O9 179.60(4) 3 2_655 ?
O7 Al7 O9 96.82(3) 1_655 2_655 ?
O7 Al7 O9 96.82(2) 2_665 2_655 ?
O9 Al7 O9 82.88(4) . 2_655 ?
O7 Al7 O9 96.82(3) 3 3_665 ?
O7 Al7 O9 179.60(4) 1_655 3_665 ?
O7 Al7 O9 96.82(2) 2_665 3_665 ?
O9 Al7 O9 82.88(4) . 3_665 ?
O9 Al7 O9 82.88(4) 2_655 3_665 ?
O7 Al7 Al6 138.081(17) 3 1_655 ?
O7 Al7 Al6 94.46(2) 1_655 1_655 ?
O7 Al7 Al6 138.081(17) 2_665 1_655 ?
O9 Al7 Al6 41.657(16) . 1_655 ?
O9 Al7 Al6 41.653(16) 2_655 1_655 ?
O9 Al7 Al6 85.13(3) 3_665 1_655 ?
O7 Al7 Al6 94.46(2) 3 3 ?
O7 Al7 Al6 138.081(17) 1_655 3 ?
O7 Al7 Al6 138.081(17) 2_665 3 ?
O9 Al7 Al6 41.657(16) . 3 ?
O9 Al7 Al6 85.13(3) 2_655 3 ?
O9 Al7 Al6 41.653(16) 3_665 3 ?
Al6 Al7 Al6 60.051(10) 1_655 3 ?
O7 Al7 Al6 138.081(17) 3 2_665 ?
O7 Al7 Al6 138.081(17) 1_655 2_665 ?
O7 Al7 Al6 94.46(2) 2_665 2_665 ?
O9 Al7 Al6 85.14(3) . 2_665 ?
O9 Al7 Al6 41.652(16) 2_655 2_665 ?
O9 Al7 Al6 41.652(16) 3_665 2_665 ?
Al6 Al7 Al6 60.051(10) 1_655 2_665 ?
Al6 Al7 Al6 60.051(10) 3 2_665 ?
O7 Al7 Al8 85.91(3) 3 . ?
O7 Al7 Al8 41.952(17) 1_655 . ?
O7 Al7 Al8 41.952(17) 2_665 . ?
O9 Al7 Al8 138.307(15) . . ?
O9 Al7 Al8 94.49(2) 2_655 . ?
O9 Al7 Al8 138.311(15) 3_665 . ?
Al6 Al7 Al8 119.643(7) 1_655 . ?
Al6 Al7 Al8 179.625(14) 3 . ?
Al6 Al7 Al8 119.643(6) 2_665 . ?
O7 Al7 Al8 41.952(17) 3 3_665 ?
O7 Al7 Al8 41.952(17) 1_655 3_665 ?
O7 Al7 Al8 85.91(3) 2_665 3_665 ?
O9 Al7 Al8 94.49(2) . 3_665 ?
O9 Al7 Al8 138.312(15) 2_655 3_665 ?
O9 Al7 Al8 138.312(15) 3_665 3_665 ?
Al6 Al7 Al8 119.646(6) 1_655 3_665 ?
Al6 Al7 Al8 119.646(6) 3 3_665 ?
Al6 Al7 Al8 179.628(13) 2_665 3_665 ?
Al8 Al7 Al8 60.660(14) . 3_665 ?
O7 Al7 Al8 41.952(17) 3 2_655 ?
O7 Al7 Al8 85.91(3) 1_655 2_655 ?
O7 Al7 Al8 41.952(17) 2_665 2_655 ?
O9 Al7 Al8 138.308(15) . 2_655 ?
O9 Al7 Al8 138.311(15) 2_655 2_655 ?
O9 Al7 Al8 94.50(2) 3_665 2_655 ?
Al6 Al7 Al8 179.628(13) 1_655 2_655 ?
Al6 Al7 Al8 119.646(6) 3 2_655 ?
Al6 Al7 Al8 119.646(6) 2_665 2_655 ?
Al8 Al7 Al8 60.660(14) . 2_655 ?
Al8 Al7 Al8 60.657(14) 3_665 2_655 ?
O6 Al8 O7 97.06(3) . 2_665 ?
O6 Al8 O7 97.06(3) . 1_655 ?
O7 Al8 O7 82.11(5) 2_665 1_655 ?
O6 Al8 O12 85.24(3) . . ?
O7 Al8 O12 94.94(3) 2_665 . ?
O7 Al8 O12 176.45(4) 1_655 . ?
O6 Al8 O12 85.24(3) . 2_765 ?
O7 Al8 O12 176.45(4) 2_665 2_765 ?
O7 Al8 O12 94.94(3) 1_655 2_765 ?
O12 Al8 O12 87.93(5) . 2_765 ?
O6 Al8 O1 179.88(5) . . ?
O7 Al8 O1 82.85(3) 2_665 . ?
O7 Al8 O1 82.85(3) 1_655 . ?
O12 Al8 O1 94.85(3) . . ?
O12 Al8 O1 94.84(3) 2_765 . ?
O6 Al8 Al8 41.97(2) . 2_765 ?
O7 Al8 Al8 138.606(19) 2_665 2_765 ?
O7 Al8 Al8 95.36(2) 1_655 2_765 ?
O12 Al8 Al8 88.16(3) . 2_765 ?
O12 Al8 Al8 43.425(19) 2_765 2_765 ?
O1 Al8 Al8 138.11(2) . 2_765 ?
O6 Al8 Al8 41.97(2) . 3_675 ?
O7 Al8 Al8 95.36(2) 2_665 3_675 ?
O7 Al8 Al8 138.606(19) 1_655 3_675 ?
O12 Al8 Al8 43.42(2) . 3_675 ?
O12 Al8 Al8 88.16(2) 2_765 3_675 ?
O1 Al8 Al8 138.11(2) . 3_675 ?
Al8 Al8 Al8 60.0 2_765 3_675 ?
O6 Al8 Al7 94.83(4) . . ?
O7 Al8 Al7 41.26(2) 2_665 . ?
O7 Al8 Al7 41.26(2) 1_655 . ?
O12 Al8 Al7 136.00(3) . . ?
O12 Al8 Al7 136.01(2) 2_765 . ?
O1 Al8 Al7 85.05(3) . . ?
Al8 Al8 Al7 120.336(7) 2_765 . ?
Al8 Al8 Al7 120.337(7) 3_675 . ?
O6 Al8 Al8 138.04(2) . 2_655 ?
O7 Al8 Al8 41.404(19) 2_665 2_655 ?
O7 Al8 Al8 84.65(2) 1_655 2_655 ?
O12 Al8 Al8 91.83(3) . 2_655 ?
O12 Al8 Al8 136.566(19) 2_765 2_655 ?
O1 Al8 Al8 41.88(2) . 2_655 ?
Al8 Al8 Al8 179.989(1) 2_765 2_655 ?
Al8 Al8 Al8 120.0 3_675 2_655 ?
Al7 Al8 Al8 59.674(7) . 2_655 ?
O6 Al8 Al8 138.04(2) . 3_665 ?
O7 Al8 Al8 84.65(2) 2_665 3_665 ?
O7 Al8 Al8 41.404(19) 1_655 3_665 ?
O12 Al8 Al8 136.57(2) . 3_665 ?
O12 Al8 Al8 91.83(2) 2_765 3_665 ?
O1 Al8 Al8 41.88(2) . 3_665 ?
Al8 Al8 Al8 120.0 2_765 3_665 ?
Al8 Al8 Al8 179.989(9) 3_675 3_665 ?
Al7 Al8 Al8 59.674(7) . 3_665 ?
Al8 Al8 Al8 60.0 2_655 3_665 ?
O6 Al8 Ti12 89.21(4) . . ?
O7 Al8 Ti12 138.21(2) 2_665 . ?
O7 Al8 Ti12 138.21(2) 1_655 . ?
O12 Al8 Ti12 44.27(2) . . ?
O12 Al8 Ti12 44.27(2) 2_765 . ?
O1 Al8 Ti12 90.90(3) . . ?
Al8 Al8 Ti12 62.985(5) 2_765 . ?
Al8 Al8 Ti12 62.985(6) 3_675 . ?
Al7 Al8 Ti12 175.957(14) . . ?
Al8 Al8 Ti12 117.005(5) 2_655 . ?
Al8 Al8 Ti12 117.005(5) 3_665 . ?
O11 Al9 O11 84.06(4) 2_665 3_565 ?
O11 Al9 O11 84.06(4) 2_665 . ?
O11 Al9 O11 84.06(4) 3_565 . ?
O11 Al9 O10 96.44(3) 2_665 3_565 ?
O11 Al9 O10 96.44(3) 3_565 3_565 ?
O11 Al9 O10 179.31(4) . 3_565 ?
O11 Al9 O10 96.45(3) 2_665 2_665 ?
O11 Al9 O10 179.31(4) 3_565 2_665 ?
O11 Al9 O10 96.45(2) . 2_665 ?
O10 Al9 O10 83.04(4) 3_565 2_665 ?
O11 Al9 O10 179.31(4) 2_665 . ?
O11 Al9 O10 96.44(3) 3_565 . ?
O11 Al9 O10 96.45(3) . . ?
O10 Al9 O10 83.04(4) 3_565 . ?
O10 Al9 O10 83.04(4) 2_665 . ?
O11 Al9 Al10 93.79(3) 2_665 2_665 ?
O11 Al9 Al10 137.796(18) 3_565 2_665 ?
O11 Al9 Al10 137.798(18) . 2_665 ?
O10 Al9 Al10 41.750(16) 3_565 2_665 ?
O10 Al9 Al10 41.751(16) 2_665 2_665 ?
O10 Al9 Al10 85.52(3) . 2_665 ?
O11 Al9 Al10 137.796(18) 2_665 3_565 ?
O11 Al9 Al10 93.79(3) 3_565 3_565 ?
O11 Al9 Al10 137.798(17) . 3_565 ?
O10 Al9 Al10 41.751(16) 3_565 3_565 ?
O10 Al9 Al10 85.52(3) 2_665 3_565 ?
O10 Al9 Al10 41.751(16) . 3_565 ?
Al10 Al9 Al10 60.499(10) 2_665 3_565 ?
O11 Al9 Al10 137.798(18) 2_665 . ?
O11 Al9 Al10 137.797(18) 3_565 . ?
O11 Al9 Al10 93.80(3) . . ?
O10 Al9 Al10 85.51(3) 3_565 . ?
O10 Al9 Al10 41.750(16) 2_665 . ?
O10 Al9 Al10 41.750(16) . . ?
Al10 Al9 Al10 60.497(10) 2_665 . ?
Al10 Al9 Al10 60.497(10) 3_565 . ?
O11 Al9 Al11 42.172(18) 2_665 1_565 ?
O11 Al9 Al11 42.172(18) 3_565 1_565 ?
O11 Al9 Al11 85.80(3) . 1_565 ?
O10 Al9 Al11 94.89(2) 3_565 1_565 ?
O10 Al9 Al11 138.286(16) 2_665 1_565 ?
O10 Al9 Al11 138.285(16) . 1_565 ?
Al10 Al9 Al11 119.829(6) 2_665 1_565 ?
Al10 Al9 Al11 119.828(5) 3_565 1_565 ?
Al10 Al9 Al11 179.600(13) . 1_565 ?
O11 Al9 Al11 85.80(3) 2_665 2 ?
O11 Al9 Al11 42.173(18) 3_565 2 ?
O11 Al9 Al11 42.170(18) . 2 ?
O10 Al9 Al11 138.286(16) 3_565 2 ?
O10 Al9 Al11 138.285(15) 2_665 2 ?
O10 Al9 Al11 94.89(2) . 2 ?
Al10 Al9 Al11 179.597(13) 2_665 2 ?
Al10 Al9 Al11 119.829(5) 3_565 2 ?
Al10 Al9 Al11 119.831(6) . 2 ?
Al11 Al9 Al11 59.842(14) 1_565 2 ?
O11 Al9 Al11 42.172(18) 2_665 3_665 ?
O11 Al9 Al11 85.80(3) 3_565 3_665 ?
O11 Al9 Al11 42.171(18) . 3_665 ?
O10 Al9 Al11 138.285(15) 3_565 3_665 ?
O10 Al9 Al11 94.89(2) 2_665 3_665 ?
O10 Al9 Al11 138.286(15) . 3_665 ?
Al10 Al9 Al11 119.829(5) 2_665 3_665 ?
Al10 Al9 Al11 179.597(13) 3_565 3_665 ?
Al10 Al9 Al11 119.832(5) . 3_665 ?
Al11 Al9 Al11 59.842(14) 1_565 3_665 ?
Al11 Al9 Al11 59.842(14) 2 3_665 ?
O10 Al10 O10 83.77(4) 2_665 . ?
O10 Al10 O10 180.0 2_665 32_445 ?
O10 Al10 O10 96.24(4) . 32_445 ?
O10 Al10 O10 96.23(4) 2_665 31 ?
O10 Al10 O10 180.0 . 31 ?
O10 Al10 O10 83.76(4) 32_445 31 ?
O10 Al10 O2 96.47(3) 2_665 1_545 ?
O10 Al10 O2 96.47(3) . 1_545 ?
O10 Al10 O2 83.54(3) 32_445 1_545 ?
O10 Al10 O2 83.54(3) 31 1_545 ?
O10 Al10 O2 83.54(3) 2_665 31_565 ?
O10 Al10 O2 83.54(3) . 31_565 ?
O10 Al10 O2 96.46(3) 32_445 31_565 ?
O10 Al10 O2 96.46(3) 31 31_565 ?
O2 Al10 O2 180.0 1_545 31_565 ?
O10 Al10 Al9 42.12(2) 2_665 . ?
O10 Al10 Al9 42.12(2) . . ?
O10 Al10 Al9 137.89(2) 32_445 . ?
O10 Al10 Al9 137.89(2) 31 . ?
O2 Al10 Al9 93.81(3) 1_545 . ?
O2 Al10 Al9 86.19(3) 31_565 . ?
O10 Al10 Al9 137.88(2) 2_665 31 ?
O10 Al10 Al9 137.88(2) . 31 ?
O10 Al10 Al9 42.11(2) 32_445 31 ?
O10 Al10 Al9 42.11(2) 31 31 ?
O2 Al10 Al9 86.19(3) 1_545 31 ?
O2 Al10 Al9 93.80(3) 31_565 31 ?
Al9 Al10 Al9 180.0 . 31 ?
O10 Al10 Al10 94.85(2) 2_665 3 ?
O10 Al10 Al10 138.773(16) . 3 ?
O10 Al10 Al10 85.15(2) 32_445 3 ?
O10 Al10 Al10 41.231(16) 31 3 ?
O2 Al10 Al10 42.57(2) 1_545 3 ?
O2 Al10 Al10 137.42(2) 31_565 3 ?
Al9 Al10 Al10 120.243(5) . 3 ?
Al9 Al10 Al10 59.760(5) 31 3 ?
O10 Al10 Al10 41.219(16) 2_665 2_665 ?
O10 Al10 Al10 85.15(2) . 2_665 ?
O10 Al10 Al10 138.777(16) 32_445 2_665 ?
O10 Al10 Al10 94.85(2) 31 2_665 ?
O2 Al10 Al10 137.42(2) 1_545 2_665 ?
O2 Al10 Al10 42.58(2) 31_565 2_665 ?
Al9 Al10 Al10 59.748(5) . 2_665 ?
Al9 Al10 Al10 120.249(5) 31 2_665 ?
Al10 Al10 Al10 120.0 3 2_665 ?
O10 Al10 Al10 138.773(16) 2_665 2 ?
O10 Al10 Al10 94.85(2) . 2 ?
O10 Al10 Al10 41.230(16) 32_445 2 ?
O10 Al10 Al10 85.15(2) 31 2 ?
O2 Al10 Al10 42.57(2) 1_545 2 ?
O2 Al10 Al10 137.43(2) 31_565 2 ?
Al9 Al10 Al10 120.243(5) . 2 ?
Al9 Al10 Al10 59.760(5) 31 2 ?
Al10 Al10 Al10 60.0 3 2 ?
Al10 Al10 Al10 180.0 2_665 2 ?
O10 Al10 Al10 85.15(2) 2_665 3_565 ?
O10 Al10 Al10 41.219(16) . 3_565 ?
O10 Al10 Al10 94.85(2) 32_445 3_565 ?
O10 Al10 Al10 138.778(16) 31 3_565 ?
O2 Al10 Al10 137.42(2) 1_545 3_565 ?
O2 Al10 Al10 42.58(2) 31_565 3_565 ?
Al9 Al10 Al10 59.748(5) . 3_565 ?
Al9 Al10 Al10 120.249(5) 31 3_565 ?
Al10 Al10 Al10 180.0 3 3_565 ?
Al10 Al10 Al10 60.0 2_665 3_565 ?
Al10 Al10 Al10 120.0 2 3_565 ?
O8 Al11 O8 96.29(5) 2_655 . ?
O8 Al11 O4 84.17(3) 2_655 . ?
O8 Al11 O4 84.18(3) . . ?
O8 Al11 O5 96.36(3) 2_655 1_545 ?
O8 Al11 O5 96.36(3) . 1_545 ?
O4 Al11 O5 179.19(5) . 1_545 ?
O8 Al11 O11 91.80(3) 2_655 2_655 ?
O8 Al11 O11 171.86(3) . 2_655 ?
O4 Al11 O11 95.77(3) . 2_655 ?
O5 Al11 O11 83.61(3) 1_545 2_655 ?
O8 Al11 O11 171.85(3) 2_655 3 ?
O8 Al11 O11 91.80(3) . 3 ?
O4 Al11 O11 95.77(3) . 3 ?
O5 Al11 O11 83.61(3) 1_545 3 ?
O11 Al11 O11 80.09(5) 2_655 3 ?
O8 Al11 Al11 41.992(19) 2_655 2_655 ?
O8 Al11 Al11 90.09(2) . 2_655 ?
O4 Al11 Al11 42.18(2) . 2_655 ?
O5 Al11 Al11 138.36(2) 1_545 2_655 ?
O11 Al11 Al11 95.33(2) 2_655 2_655 ?
O11 Al11 Al11 137.418(18) 3 2_655 ?
O8 Al11 Al11 90.09(2) 2_655 3_665 ?
O8 Al11 Al11 41.998(19) . 3_665 ?
O4 Al11 Al11 42.18(2) . 3_665 ?
O5 Al11 Al11 138.36(2) 1_545 3_665 ?
O11 Al11 Al11 137.418(18) 2_655 3_665 ?
O11 Al11 Al11 95.33(2) 3 3_665 ?
Al11 Al11 Al11 60.0 2_655 3_665 ?
O8 Al11 Al11 89.91(2) 2_655 3_655 ?
O8 Al11 Al11 138.007(19) . 3_655 ?
O4 Al11 Al11 137.81(2) . 3_655 ?
O5 Al11 Al11 41.65(2) 1_545 3_655 ?
O11 Al11 Al11 42.578(18) 2_655 3_655 ?
O11 Al11 Al11 84.67(2) 3 3_655 ?
Al11 Al11 Al11 120.0 2_655 3_655 ?
Al11 Al11 Al11 180.0 3_665 3_655 ?
O8 Al11 Al11 138.011(19) 2_655 2_545 ?
O8 Al11 Al11 89.91(2) . 2_545 ?
O4 Al11 Al11 137.81(2) . 2_545 ?
O5 Al11 Al11 41.65(2) 1_545 2_545 ?
O11 Al11 Al11 84.67(2) 2_655 2_545 ?
O11 Al11 Al11 42.578(18) 3 2_545 ?
Al11 Al11 Al11 180.0 2_655 2_545 ?
Al11 Al11 Al11 120.0 3_665 2_545 ?
Al11 Al11 Al11 60.0 3_655 2_545 ?
O8 Al11 Al9 131.67(2) 2_655 1_545 ?
O8 Al11 Al9 131.68(2) . 1_545 ?
O4 Al11 Al9 94.00(3) . 1_545 ?
O5 Al11 Al9 85.19(4) 1_545 1_545 ?
O11 Al11 Al9 40.18(2) 2_655 1_545 ?
O11 Al11 Al9 40.18(2) 3 1_545 ?
Al11 Al11 Al9 119.918(7) 2_655 1_545 ?
Al11 Al11 Al9 119.919(7) 3_665 1_545 ?
Al11 Al11 Al9 60.077(7) 3_655 1_545 ?
Al11 Al11 Al9 60.077(7) 2_545 1_545 ?
O8 Al11 Mg5 77.199(19) 2_655 1_545 ?
O8 Al11 Mg5 77.193(19) . 1_545 ?
O4 Al11 Mg5 151.85(3) . 1_545 ?
O5 Al11 Mg5 28.96(3) 1_545 1_545 ?
O11 Al11 Mg5 105.628(19) 2_655 1_545 ?
O11 Al11 Mg5 105.629(19) 3 1_545 ?
Al11 Al11 Mg5 116.228(5) 2_655 1_545 ?
Al11 Al11 Mg5 116.229(6) 3_665 1_545 ?
Al11 Al11 Mg5 63.776(5) 3_655 1_545 ?
Al11 Al11 Mg5 63.776(6) 2_545 1_545 ?
Al9 Al11 Mg5 114.150(12) 1_545 1_545 ?
O8 Ti12 O8 99.95(3) 3_665 1_665 ?
O8 Ti12 O8 99.95(3) 3_665 2_665 ?
O8 Ti12 O8 99.95(3) 1_665 2_665 ?
O8 Ti12 O12 163.25(3) 3_665 3_675 ?
O8 Ti12 O12 90.75(2) 1_665 3_675 ?
O8 Ti12 O12 90.75(2) 2_665 3_675 ?
O8 Ti12 O12 90.75(2) 3_665 2_765 ?
O8 Ti12 O12 90.75(2) 1_665 2_765 ?
O8 Ti12 O12 163.25(3) 2_665 2_765 ?
O12 Ti12 O12 76.16(3) 3_675 2_765 ?
O8 Ti12 O12 90.75(2) 3_665 . ?
O8 Ti12 O12 163.25(3) 1_665 . ?
O8 Ti12 O12 90.75(2) 2_665 . ?
O12 Ti12 O12 76.15(3) 3_675 . ?
O12 Ti12 O12 76.15(3) 2_765 . ?
O8 Ti12 Al8 129.015(19) 3_665 2_765 ?
O8 Ti12 Al8 86.21(2) 1_665 2_765 ?
O8 Ti12 Al8 129.01(2) 2_665 2_765 ?
O12 Ti12 Al8 38.327(15) 3_675 2_765 ?
O12 Ti12 Al8 38.327(15) 2_765 2_765 ?
O12 Ti12 Al8 77.04(2) . 2_765 ?
O8 Ti12 Al8 129.01(2) 3_665 3_675 ?
O8 Ti12 Al8 129.01(2) 1_665 3_675 ?
O8 Ti12 Al8 86.21(2) 2_665 3_675 ?
O12 Ti12 Al8 38.327(16) 3_675 3_675 ?
O12 Ti12 Al8 77.04(2) 2_765 3_675 ?
O12 Ti12 Al8 38.325(16) . 3_675 ?
Al8 Ti12 Al8 54.024(11) 2_765 3_675 ?
O8 Ti12 Al8 86.21(2) 3_665 . ?
O8 Ti12 Al8 129.014(19) 1_665 . ?
O8 Ti12 Al8 129.01(2) 2_665 . ?
O12 Ti12 Al8 77.04(2) 3_675 . ?
O12 Ti12 Al8 38.327(15) 2_765 . ?
O12 Ti12 Al8 38.324(15) . . ?
Al8 Ti12 Al8 54.022(11) 2_765 . ?
Al8 Ti12 Al8 54.022(11) 3_675 . ?
O8 Ti12 Mg5 72.965(11) 3_665 . ?
O8 Ti12 Mg5 168.49(3) 1_665 . ?
O8 Ti12 Mg5 72.965(12) 2_665 . ?
O12 Ti12 Mg5 98.297(14) 3_675 . ?
O12 Ti12 Mg5 98.297(14) 2_765 . ?
O12 Ti12 Mg5 28.26(2) . . ?
Al8 Ti12 Mg5 105.300(12) 2_765 . ?
Al8 Ti12 Mg5 60.590(7) 3_675 . ?
Al8 Ti12 Mg5 60.591(7) . . ?
O8 Ti12 Mg5 168.49(3) 3_665 1_665 ?
O8 Ti12 Mg5 72.967(12) 1_665 1_665 ?
O8 Ti12 Mg5 72.968(12) 2_665 1_665 ?
O12 Ti12 Mg5 28.26(2) 3_675 1_665 ?
O12 Ti12 Mg5 98.293(14) 2_765 1_665 ?
O12 Ti12 Mg5 98.292(14) . 1_665 ?
Al8 Ti12 Mg5 60.586(7) 2_765 1_665 ?
Al8 Ti12 Mg5 60.587(7) 3_675 1_665 ?
Al8 Ti12 Mg5 105.293(12) . 1_665 ?
Mg5 Ti12 Mg5 112.419(8) . 1_665 ?
O8 Ti12 Mg5 72.967(12) 3_665 1_655 ?
O8 Ti12 Mg5 72.967(12) 1_665 1_655 ?
O8 Ti12 Mg5 168.49(3) 2_665 1_655 ?
O12 Ti12 Mg5 98.294(14) 3_675 1_655 ?
O12 Ti12 Mg5 28.26(2) 2_765 1_655 ?
O12 Ti12 Mg5 98.292(14) . 1_655 ?
Al8 Ti12 Mg5 60.587(7) 2_765 1_655 ?
Al8 Ti12 Mg5 105.296(12) 3_675 1_655 ?
Al8 Ti12 Mg5 60.587(7) . 1_655 ?
Mg5 Ti12 Mg5 112.419(8) . 1_655 ?
Mg5 Ti12 Mg5 112.417(7) 1_665 1_655 ?
Al8 O1 Al8 96.24(4) 3_665 2_655 ?
Al8 O1 Al8 96.23(4) 3_665 . ?
Al8 O1 Al8 96.23(4) 2_655 . ?
Al8 O1 H1 120.72(3) 3_665 . ?
Al8 O1 H1 120.72(3) 2_655 . ?
Al8 O1 H1 120.72(4) . . ?
Al10 O2 Al10 94.86(4) 3_565 2_565 ?
Al10 O2 Al10 94.86(4) 3_565 1_565 ?
Al10 O2 Al10 94.86(4) 2_565 1_565 ?
Al10 O2 Mg2 121.75(3) 3_565 . ?
Al10 O2 Mg2 121.75(3) 2_565 . ?
Al10 O2 Mg2 121.75(3) 1_565 . ?
Al6 O3 Al6 95.90(4) 3 1_655 ?
Al6 O3 Al6 95.90(4) 3 2_665 ?
Al6 O3 Al6 95.90(4) 1_655 2_665 ?
Al6 O3 Mg4 120.97(3) 3 19_666 ?
Al6 O3 Mg4 120.97(3) 1_655 19_666 ?
Al6 O3 Mg4 120.97(3) 2_665 19_666 ?
Al11 O4 Al11 95.64(4) 2_655 3_665 ?
Al11 O4 Al11 95.63(4) 2_655 . ?
Al11 O4 Al11 95.63(4) 3_665 . ?
Al11 O4 Mg1 121.17(3) 2_655 . ?
Al11 O4 Mg1 121.17(3) 3_665 . ?
Al11 O4 Mg1 121.17(3) . . ?
Mg5 O5 Al11 120.36(4) . 2 ?
Mg5 O5 Al11 120.36(4) . 1_565 ?
Al11 O5 Al11 96.71(5) 2 1_565 ?
Mg5 O5 Al11 120.36(4) . 3_665 ?
Al11 O5 Al11 96.71(5) 2 3_665 ?
Al11 O5 Al11 96.71(5) 1_565 3_665 ?
Al8 O6 Al8 96.07(5) . 2_765 ?
Al8 O6 Al8 96.07(5) . 3_675 ?
Al8 O6 Al8 96.07(5) 2_765 3_675 ?
Al8 O6 Mg3 120.84(3) . . ?
Al8 O6 Mg3 120.85(3) 2_765 . ?
Al8 O6 Mg3 120.85(3) 3_675 . ?
Al7 O7 Mg4 121.61(4) 1_455 . ?
Al7 O7 Al8 96.79(3) 1_455 3_565 ?
Mg4 O7 Al8 119.48(3) . 3_565 ?
Al7 O7 Al8 96.79(3) 1_455 1_455 ?
Mg4 O7 Al8 119.48(3) . 1_455 ?
Al8 O7 Al8 97.20(4) 3_565 1_455 ?
Ti12 O8 Al11 128.32(2) 1_445 . ?
Ti12 O8 Al11 128.32(2) 1_445 3_665 ?
Al11 O8 Al11 96.01(4) . 3_665 ?
Al6 O9 Al6 96.83(3) 1_655 3 ?
Al6 O9 Al7 96.52(3) 1_655 . ?
Al6 O9 Al7 96.52(3) 3 . ?
Al6 O9 Mg3 120.65(3) 1_655 1_545 ?
Al6 O9 Mg3 120.65(3) 3 1_545 ?
Al7 O9 Mg3 119.97(4) . 1_545 ?
Al10 O10 Al10 97.56(3) 3_565 . ?
Al10 O10 Al9 96.13(3) 3_565 . ?
Al10 O10 Al9 96.13(3) . . ?
Al10 O10 Mg1 120.70(2) 3_565 1_455 ?
Al10 O10 Mg1 120.70(2) . 1_455 ?
Al9 O10 Mg1 119.89(4) . 1_455 ?
Al9 O11 Mg2 124.75(4) . 1_545 ?
Al9 O11 Al11 97.65(3) . 2 ?
Mg2 O11 Al11 117.98(3) 1_545 2 ?
Al9 O11 Al11 97.65(3) . 3_665 ?
Mg2 O11 Al11 117.98(3) 1_545 3_665 ?
Al11 O11 Al11 94.85(4) 2 3_665 ?
Mg5 O12 Al8 122.64(3) . 3_675 ?
Mg5 O12 Al8 122.64(3) . . ?
Al8 O12 Al8 93.15(4) 3_675 . ?
Mg5 O12 Ti12 117.51(4) . . ?
Al8 O12 Ti12 97.40(3) 3_675 . ?
Al8 O12 Ti12 97.40(3) . . ?
 
_refine_diff_density_max    0.592
_refine_diff_density_min   -1.000
_refine_diff_density_rms    0.119

