#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/13/4311319.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4311319
loop_
_publ_author_name
'Shahrad Amerioun'
'Tadahiro Yokosawa'
'Sven Lidin'
'Ulrich Häussermann'
_publ_section_title
;
 Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron
 Concentration and Size Controlled Variations on the Laves Phase
 Structural Theme
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4751
_journal_page_last               4760
_journal_paper_doi               10.1021/ic0400235
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'Al13 Ba7'
_chemical_formula_weight         1312.12
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   6.0997(3)
_cell_length_b                   6.0997(3)
_cell_length_c                   17.2694(12)
_cell_measurement_reflns_used    38
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      43.22
_cell_measurement_theta_min      7.71
_cell_volume                     556.45(5)
_computing_cell_refinement       'PIRUM (Werner & Ericsson, 1993)'
_computing_data_collection       'EXPOSE in IPDS (Stoe &Cie, 1997)'
_computing_data_reduction        'X-RED  (Stoe & Cie, 1997)'
_computing_molecular_graphics
'Atoms (Dowty, 1997), Diamond v2.1(Brandenburg, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 'area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Stoe IPDS (version 2.87)'
_diffrn_measurement_method       'fi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0596
_diffrn_reflns_av_sigmaI/netI    0.0248
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4372
_diffrn_reflns_theta_full        25.97
_diffrn_reflns_theta_max         25.97
_diffrn_reflns_theta_min         2.36
_diffrn_standards_interval_count 6.0
_exptl_absorpt_coefficient_mu    12.675
_exptl_absorpt_correction_T_max  0.0405
_exptl_absorpt_correction_T_min  0.0142
_exptl_absorpt_correction_type   'numerical (X-shape, (Stoe & Cie, 1997))'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    3.916
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle-like shape'
_exptl_crystal_F_000             561
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.384
_refine_diff_density_min         -1.222
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.589
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     28
_refine_ls_number_reflns         481
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.589
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0283
_refine_ls_shift/su_max          0.117
_refine_ls_shift/su_mean         0.014
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0536P)²+33.4168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0669
_refine_ls_wR_factor_ref         0.0746
_reflns_number_gt                425
_reflns_number_total             481
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0400235_2.cif
_cod_data_source_block           Ba7Al13
_cod_depositor_comments
;
The following automatic conversions were performed:

data name '_atom_site_symetry_multiplicity' was replaced with
'_atom_site_symmetry_multiplicity' as specified in the replacement
file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        556.44(5)
_cod_database_code               4311319
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ba1 Ba 0.0000 0.0000 0.0000 0.0316(4) Uani 1 12 d S . .
Ba2 Ba 0.0000 0.0000 0.39218(5) 0.0218(3) Uani 1 6 d S . .
Ba3 Ba 0.3333 0.6667 0.89395(5) 0.0189(3) Uani 1 6 d S . .
Ba4 Ba 0.3333 0.6667 0.67907(5) 0.0193(3) Uani 1 6 d S . .
Al1 Al 0.3333 0.6667 0.3332(5) 0.0420(16) Uani 1 6 d S . .
Al1A Al 0.3333 0.6667 0.0973(3) 0.0199(10) Uani 1 6 d S . .
Al2 Al 0.1564(3) 0.8436(3) 0.21158(15) 0.0249(6) Uani 1 2 d S . .
Al3 Al 0.5000 0.0000 0.5000 0.169(7) Uani 1 4 d S . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ba Ba -0.3244 2.2819 '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'
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
Al1A Ba1 Al1A 180.00(12) 7_565 1_545 ?
Al1A Ba1 Al1A 102.81(7) 7_565 7 ?
Al1A Ba1 Al1A 77.19(7) 1_545 7 ?
Al1A Ba1 Al1A 77.19(7) 7_565 . ?
Al1A Ba1 Al1A 102.81(7) 1_545 . ?
Al1A Ba1 Al1A 180.00(12) 7 . ?
Al1A Ba1 Al1A 102.81(7) 7_565 7_665 ?
Al1A Ba1 Al1A 77.19(7) 1_545 7_665 ?
Al1A Ba1 Al1A 102.81(7) 7 7_665 ?
Al1A Ba1 Al1A 77.19(7) . 7_665 ?
Al1A Ba1 Al1A 77.19(7) 7_565 1_445 ?
Al1A Ba1 Al1A 102.81(7) 1_545 1_445 ?
Al1A Ba1 Al1A 77.19(7) 7 1_445 ?
Al1A Ba1 Al1A 102.81(7) . 1_445 ?
Al1A Ba1 Al1A 180.00(12) 7_665 1_445 ?
Al1A Ba1 Ba3 127.01(6) 7_565 1_544 ?
Al1A Ba1 Ba3 52.99(6) 1_545 1_544 ?
Al1A Ba1 Ba3 53.196(17) 7 1_544 ?
Al1A Ba1 Ba3 126.804(17) . 1_544 ?
Al1A Ba1 Ba3 53.196(17) 7_665 1_544 ?
Al1A Ba1 Ba3 126.804(17) 1_445 1_544 ?
Al1A Ba1 Ba3 53.196(17) 7_565 1_444 ?
Al1A Ba1 Ba3 126.804(17) 1_545 1_444 ?
Al1A Ba1 Ba3 53.196(17) 7 1_444 ?
Al1A Ba1 Ba3 126.804(17) . 1_444 ?
Al1A Ba1 Ba3 127.01(6) 7_665 1_444 ?
Al1A Ba1 Ba3 52.99(6) 1_445 1_444 ?
Ba3 Ba1 Ba3 100.410(15) 1_544 1_444 ?
Al1A Ba1 Ba3 52.99(6) 7_565 7_566 ?
Al1A Ba1 Ba3 127.01(6) 1_545 7_566 ?
Al1A Ba1 Ba3 126.804(17) 7 7_566 ?
Al1A Ba1 Ba3 53.196(17) . 7_566 ?
Al1A Ba1 Ba3 126.804(17) 7_665 7_566 ?
Al1A Ba1 Ba3 53.196(17) 1_445 7_566 ?
Ba3 Ba1 Ba3 180.0 1_544 7_566 ?
Ba3 Ba1 Ba3 79.590(15) 1_444 7_566 ?
Al1A Ba1 Ba3 126.804(17) 7_565 7_666 ?
Al1A Ba1 Ba3 53.196(17) 1_545 7_666 ?
Al1A Ba1 Ba3 126.804(17) 7 7_666 ?
Al1A Ba1 Ba3 53.196(17) . 7_666 ?
Al1A Ba1 Ba3 52.99(6) 7_665 7_666 ?
Al1A Ba1 Ba3 127.01(6) 1_445 7_666 ?
Ba3 Ba1 Ba3 79.590(15) 1_544 7_666 ?
Ba3 Ba1 Ba3 180.0 1_444 7_666 ?
Ba3 Ba1 Ba3 100.410(15) 7_566 7_666 ?
Al1A Ba1 Ba3 53.196(17) 7_565 1_554 ?
Al1A Ba1 Ba3 126.804(17) 1_545 1_554 ?
Al1A Ba1 Ba3 127.01(6) 7 1_554 ?
Al1A Ba1 Ba3 52.99(6) . 1_554 ?
Al1A Ba1 Ba3 53.196(17) 7_665 1_554 ?
Al1A Ba1 Ba3 126.804(17) 1_445 1_554 ?
Ba3 Ba1 Ba3 100.410(15) 1_544 1_554 ?
Ba3 Ba1 Ba3 100.410(15) 1_444 1_554 ?
Ba3 Ba1 Ba3 79.590(15) 7_566 1_554 ?
Ba3 Ba1 Ba3 79.590(15) 7_666 1_554 ?
Al1A Ba1 Ba3 126.804(17) 7_565 7_556 ?
Al1A Ba1 Ba3 53.196(17) 1_545 7_556 ?
Al1A Ba1 Ba3 52.99(6) 7 7_556 ?
Al1A Ba1 Ba3 127.01(6) . 7_556 ?
Al1A Ba1 Ba3 126.804(17) 7_665 7_556 ?
Al1A Ba1 Ba3 53.196(17) 1_445 7_556 ?
Ba3 Ba1 Ba3 79.590(15) 1_544 7_556 ?
Ba3 Ba1 Ba3 79.590(15) 1_444 7_556 ?
Ba3 Ba1 Ba3 100.410(15) 7_566 7_556 ?
Ba3 Ba1 Ba3 100.410(15) 7_666 7_556 ?
Ba3 Ba1 Ba3 180.0 1_554 7_556 ?
Al2 Ba2 Al2 47.83(9) 3_455 1_545 ?
Al2 Ba2 Al2 47.83(9) 3_455 2_665 ?
Al2 Ba2 Al2 47.83(9) 1_545 2_665 ?
Al2 Ba2 Al3 143.75(4) 3_455 3_665 ?
Al2 Ba2 Al3 117.417(17) 1_545 3_665 ?
Al2 Ba2 Al3 96.57(5) 2_665 3_665 ?
Al2 Ba2 Al3 117.417(17) 3_455 2 ?
Al2 Ba2 Al3 143.75(4) 1_545 2 ?
Al2 Ba2 Al3 96.57(5) 2_665 2 ?
Al3 Ba2 Al3 50.524(7) 3_665 2 ?
Al2 Ba2 Al3 143.75(4) 3_455 . ?
Al2 Ba2 Al3 96.57(5) 1_545 . ?
Al2 Ba2 Al3 117.417(17) 2_665 . ?
Al3 Ba2 Al3 50.524(7) 3_665 . ?
Al3 Ba2 Al3 95.320(17) 2 . ?
Al2 Ba2 Al3 96.57(5) 3_455 3 ?
Al2 Ba2 Al3 117.417(17) 1_545 3 ?
Al2 Ba2 Al3 143.75(4) 2_665 3 ?
Al3 Ba2 Al3 117.19(3) 3_665 3 ?
Al3 Ba2 Al3 95.320(17) 2 3 ?
Al3 Ba2 Al3 95.320(17) . 3 ?
Al2 Ba2 Al3 117.417(17) 3_455 2_545 ?
Al2 Ba2 Al3 96.57(5) 1_545 2_545 ?
Al2 Ba2 Al3 143.75(4) 2_665 2_545 ?
Al3 Ba2 Al3 95.320(17) 3_665 2_545 ?
Al3 Ba2 Al3 117.19(3) 2 2_545 ?
Al3 Ba2 Al3 50.524(7) . 2_545 ?
Al3 Ba2 Al3 50.524(7) 3 2_545 ?
Al2 Ba2 Al3 96.57(5) 3_455 1_455 ?
Al2 Ba2 Al3 143.75(4) 1_545 1_455 ?
Al2 Ba2 Al3 117.417(17) 2_665 1_455 ?
Al3 Ba2 Al3 95.320(17) 3_665 1_455 ?
Al3 Ba2 Al3 50.524(7) 2 1_455 ?
Al3 Ba2 Al3 117.19(3) . 1_455 ?
Al3 Ba2 Al3 50.524(7) 3 1_455 ?
Al3 Ba2 Al3 95.320(17) 2_545 1_455 ?
Al2 Ba2 Al1 88.81(12) 3_455 1_545 ?
Al2 Ba2 Al1 45.95(13) 1_545 1_545 ?
Al2 Ba2 Al1 88.81(12) 2_665 1_545 ?
Al3 Ba2 Al1 98.33(6) 3_665 1_545 ?
Al3 Ba2 Al1 148.74(7) 2 1_545 ?
Al3 Ba2 Al1 55.58(10) . 1_545 ?
Al3 Ba2 Al1 98.33(6) 3 1_545 ?
Al3 Ba2 Al1 55.58(10) 2_545 1_545 ?
Al3 Ba2 Al1 148.74(7) 1_455 1_545 ?
Al2 Ba2 Al1 45.95(13) 3_455 1_445 ?
Al2 Ba2 Al1 88.81(12) 1_545 1_445 ?
Al2 Ba2 Al1 88.81(12) 2_665 1_445 ?
Al3 Ba2 Al1 148.74(7) 3_665 1_445 ?
Al3 Ba2 Al1 98.33(6) 2 1_445 ?
Al3 Ba2 Al1 148.74(7) . 1_445 ?
Al3 Ba2 Al1 55.58(10) 3 1_445 ?
Al3 Ba2 Al1 98.33(6) 2_545 1_445 ?
Al3 Ba2 Al1 55.58(10) 1_455 1_445 ?
Al1 Ba2 Al1 112.59(11) 1_545 1_445 ?
Al2 Ba2 Al1 88.81(12) 3_455 . ?
Al2 Ba2 Al1 88.81(12) 1_545 . ?
Al2 Ba2 Al1 45.95(13) 2_665 . ?
Al3 Ba2 Al1 55.58(10) 3_665 . ?
Al3 Ba2 Al1 55.58(10) 2 . ?
Al3 Ba2 Al1 98.33(6) . . ?
Al3 Ba2 Al1 148.74(7) 3 . ?
Al3 Ba2 Al1 148.74(7) 2_545 . ?
Al3 Ba2 Al1 98.33(6) 1_455 . ?
Al1 Ba2 Al1 112.59(11) 1_545 . ?
Al1 Ba2 Al1 112.59(11) 1_445 . ?
Al2 Ba2 Ba2 152.09(5) 3_455 7_556 ?
Al2 Ba2 Ba2 152.09(5) 1_545 7_556 ?
Al2 Ba2 Ba2 152.09(5) 2_665 7_556 ?
Al3 Ba2 Ba2 58.596(13) 3_665 7_556 ?
Al3 Ba2 Ba2 58.596(13) 2 7_556 ?
Al3 Ba2 Ba2 58.596(13) . 7_556 ?
Al3 Ba2 Ba2 58.596(13) 3 7_556 ?
Al3 Ba2 Ba2 58.596(13) 2_545 7_556 ?
Al3 Ba2 Ba2 58.596(13) 1_455 7_556 ?
Al1 Ba2 Ba2 106.14(12) 1_545 7_556 ?
Al1 Ba2 Ba2 106.14(12) 1_445 7_556 ?
Al1 Ba2 Ba2 106.14(12) . 7_556 ?
Al2 Ba2 Ba4 59.17(2) 3_455 7_566 ?
Al2 Ba2 Ba4 98.65(6) 1_545 7_566 ?
Al2 Ba2 Ba4 59.17(2) 2_665 7_566 ?
Al3 Ba2 Ba4 99.897(8) 3_665 7_566 ?
Al3 Ba2 Ba4 58.270(12) 2 7_566 ?
Al3 Ba2 Ba4 150.421(13) . 7_566 ?
Al3 Ba2 Ba4 99.897(8) 3 7_566 ?
Al3 Ba2 Ba4 150.421(13) 2_545 7_566 ?
Al3 Ba2 Ba4 58.270(12) 1_455 7_566 ?
Al1 Ba2 Ba4 144.60(13) 1_545 7_566 ?
Al1 Ba2 Ba4 56.97(3) 1_445 7_566 ?
Al1 Ba2 Ba4 56.97(3) . 7_566 ?
Ba2 Ba2 Ba4 109.260(19) 7_556 7_566 ?
Al2 Ba2 Ba4 59.17(2) 3_455 7_556 ?
Al2 Ba2 Ba4 59.17(2) 1_545 7_556 ?
Al2 Ba2 Ba4 98.65(6) 2_665 7_556 ?
Al3 Ba2 Ba4 150.421(13) 3_665 7_556 ?
Al3 Ba2 Ba4 150.421(13) 2 7_556 ?
Al3 Ba2 Ba4 99.897(8) . 7_556 ?
Al3 Ba2 Ba4 58.270(12) 3 7_556 ?
Al3 Ba2 Ba4 58.270(12) 2_545 7_556 ?
Al3 Ba2 Ba4 99.897(8) 1_455 7_556 ?
Al1 Ba2 Ba4 56.97(3) 1_545 7_556 ?
Al1 Ba2 Ba4 56.97(3) 1_445 7_556 ?
Al1 Ba2 Ba4 144.60(13) . 7_556 ?
Ba2 Ba2 Ba4 109.260(19) 7_556 7_556 ?
Ba4 Ba2 Ba4 109.682(19) 7_566 7_556 ?
Al2 Ba2 Ba4 98.65(6) 3_455 7_666 ?
Al2 Ba2 Ba4 59.17(2) 1_545 7_666 ?
Al2 Ba2 Ba4 59.17(2) 2_665 7_666 ?
Al3 Ba2 Ba4 58.270(12) 3_665 7_666 ?
Al3 Ba2 Ba4 99.897(8) 2 7_666 ?
Al3 Ba2 Ba4 58.270(12) . 7_666 ?
Al3 Ba2 Ba4 150.421(13) 3 7_666 ?
Al3 Ba2 Ba4 99.897(8) 2_545 7_666 ?
Al3 Ba2 Ba4 150.421(13) 1_455 7_666 ?
Al1 Ba2 Ba4 56.97(3) 1_545 7_666 ?
Al1 Ba2 Ba4 144.60(13) 1_445 7_666 ?
Al1 Ba2 Ba4 56.97(3) . 7_666 ?
Ba2 Ba2 Ba4 109.260(19) 7_556 7_666 ?
Ba4 Ba2 Ba4 109.682(19) 7_566 7_666 ?
Ba4 Ba2 Ba4 109.682(19) 7_556 7_666 ?
Al1A Ba3 Al1A 87.55(8) 1_556 7_676 ?
Al1A Ba3 Al1A 87.55(8) 1_556 7_566 ?
Al1A Ba3 Al1A 119.820(12) 7_676 7_566 ?
Al1A Ba3 Al1A 87.55(8) 1_556 7_666 ?
Al1A Ba3 Al1A 119.820(13) 7_676 7_666 ?
Al1A Ba3 Al1A 119.820(12) 7_566 7_666 ?
Al1A Ba3 Al2 120.84(4) 1_556 7_566 ?
Al1A Ba3 Al2 141.22(8) 7_676 7_566 ?
Al1A Ba3 Al2 45.15(7) 7_566 7_566 ?
Al1A Ba3 Al2 89.50(7) 7_666 7_566 ?
Al1A Ba3 Al2 120.84(4) 1_556 8_456 ?
Al1A Ba3 Al2 89.50(7) 7_676 8_456 ?
Al1A Ba3 Al2 45.15(7) 7_566 8_456 ?
Al1A Ba3 Al2 141.22(8) 7_666 8_456 ?
Al2 Ba3 Al2 54.20(10) 7_566 8_456 ?
Al1A Ba3 Al2 120.84(4) 1_556 9_666 ?
Al1A Ba3 Al2 45.15(7) 7_676 9_666 ?
Al1A Ba3 Al2 89.50(7) 7_566 9_666 ?
Al1A Ba3 Al2 141.22(8) 7_666 9_666 ?
Al2 Ba3 Al2 96.07(5) 7_566 9_666 ?
Al2 Ba3 Al2 47.47(10) 8_456 9_666 ?
Al1A Ba3 Al2 120.84(4) 1_556 7_676 ?
Al1A Ba3 Al2 45.15(7) 7_676 7_676 ?
Al1A Ba3 Al2 141.22(8) 7_566 7_676 ?
Al1A Ba3 Al2 89.50(7) 7_666 7_676 ?
Al2 Ba3 Al2 118.19(8) 7_566 7_676 ?
Al2 Ba3 Al2 96.07(5) 8_456 7_676 ?
Al2 Ba3 Al2 54.20(11) 9_666 7_676 ?
Al1A Ba3 Al2 120.84(4) 1_556 9_656 ?
Al1A Ba3 Al2 141.22(8) 7_676 9_656 ?
Al1A Ba3 Al2 89.50(7) 7_566 9_656 ?
Al1A Ba3 Al2 45.15(7) 7_666 9_656 ?
Al2 Ba3 Al2 47.47(10) 7_566 9_656 ?
Al2 Ba3 Al2 96.07(5) 8_456 9_656 ?
Al2 Ba3 Al2 118.19(8) 9_666 9_656 ?
Al2 Ba3 Al2 96.07(5) 7_676 9_656 ?
Al1A Ba3 Al2 120.84(4) 1_556 8_556 ?
Al1A Ba3 Al2 89.50(7) 7_676 8_556 ?
Al1A Ba3 Al2 141.22(8) 7_566 8_556 ?
Al1A Ba3 Al2 45.15(7) 7_666 8_556 ?
Al2 Ba3 Al2 96.07(5) 7_566 8_556 ?
Al2 Ba3 Al2 118.19(8) 8_456 8_556 ?
Al2 Ba3 Al2 96.07(5) 9_666 8_556 ?
Al2 Ba3 Al2 47.47(10) 7_676 8_556 ?
Al2 Ba3 Al2 54.20(11) 9_656 8_556 ?
Al1A Ba3 Ba4 180.000(1) 1_556 . ?
Al1A Ba3 Ba4 92.45(8) 7_676 . ?
Al1A Ba3 Ba4 92.45(8) 7_566 . ?
Al1A Ba3 Ba4 92.45(8) 7_666 . ?
Al2 Ba3 Ba4 59.16(4) 7_566 . ?
Al2 Ba3 Ba4 59.16(4) 8_456 . ?
Al2 Ba3 Ba4 59.16(4) 9_666 . ?
Al2 Ba3 Ba4 59.16(4) 7_676 . ?
Al2 Ba3 Ba4 59.16(4) 9_656 . ?
Al2 Ba3 Ba4 59.16(4) 8_556 . ?
Al1A Ba3 Ba1 62.524(12) 1_556 1_566 ?
Al1A Ba3 Ba1 62.43(4) 7_676 1_566 ?
Al1A Ba3 Ba1 62.43(4) 7_566 1_566 ?
Al1A Ba3 Ba1 150.08(8) 7_666 1_566 ?
Al2 Ba3 Ba1 105.29(5) 7_566 1_566 ?
Al2 Ba3 Ba1 64.13(4) 8_456 1_566 ?
Al2 Ba3 Ba1 64.13(4) 9_666 1_566 ?
Al2 Ba3 Ba1 105.29(5) 7_676 1_566 ?
Al2 Ba3 Ba1 151.91(5) 9_656 1_566 ?
Al2 Ba3 Ba1 151.91(5) 8_556 1_566 ?
Ba4 Ba3 Ba1 117.476(12) . 1_566 ?
Al1 Ba4 Al1 119.64(3) 7_566 7_676 ?
Al1 Ba4 Al1 119.64(3) 7_566 7_666 ?
Al1 Ba4 Al1 119.64(3) 7_676 7_666 ?
Al1 Ba4 Al3 56.90(13) 7_566 2 ?
Al1 Ba4 Al3 101.24(12) 7_676 2 ?
Al1 Ba4 Al3 101.23(12) 7_666 2 ?
Al1 Ba4 Al3 101.23(12) 7_566 1_565 ?
Al1 Ba4 Al3 56.90(13) 7_676 1_565 ?
Al1 Ba4 Al3 101.23(12) 7_666 1_565 ?
Al3 Ba4 Al3 50.747(12) 2 1_565 ?
Al1 Ba4 Al3 101.23(12) 7_566 3_665 ?
Al1 Ba4 Al3 101.23(12) 7_676 3_665 ?
Al1 Ba4 Al3 56.90(13) 7_666 3_665 ?
Al3 Ba4 Al3 50.747(12) 2 3_665 ?
Al3 Ba4 Al3 50.747(12) 1_565 3_665 ?
Al1 Ba4 Al2 141.38(11) 7_566 7_676 ?
Al1 Ba4 Al2 46.53(11) 7_676 7_676 ?
Al1 Ba4 Al2 90.07(9) 7_666 7_676 ?
Al3 Ba4 Al2 145.99(4) 2 7_676 ?
Al3 Ba4 Al2 95.77(4) 1_565 7_676 ?
Al3 Ba4 Al2 116.25(4) 3_665 7_676 ?
Al1 Ba4 Al2 90.07(9) 7_566 9_666 ?
Al1 Ba4 Al2 46.53(11) 7_676 9_666 ?
Al1 Ba4 Al2 141.38(11) 7_666 9_666 ?
Al3 Ba4 Al2 116.25(4) 2 9_666 ?
Al3 Ba4 Al2 95.77(4) 1_565 9_666 ?
Al3 Ba4 Al2 145.99(4) 3_665 9_666 ?
Al2 Ba4 Al2 53.64(10) 7_676 9_666 ?
Al1 Ba4 Al2 46.53(11) 7_566 8_456 ?
Al1 Ba4 Al2 90.07(9) 7_676 8_456 ?
Al1 Ba4 Al2 141.38(11) 7_666 8_456 ?
Al3 Ba4 Al2 95.77(4) 2 8_456 ?
Al3 Ba4 Al2 116.25(4) 1_565 8_456 ?
Al3 Ba4 Al2 145.99(4) 3_665 8_456 ?
Al2 Ba4 Al2 94.86(5) 7_676 8_456 ?
Al2 Ba4 Al2 46.99(10) 9_666 8_456 ?
Al1 Ba4 Al2 46.53(11) 7_566 7_566 ?
Al1 Ba4 Al2 141.38(11) 7_676 7_566 ?
Al1 Ba4 Al2 90.07(9) 7_666 7_566 ?
Al3 Ba4 Al2 95.77(4) 2 7_566 ?
Al3 Ba4 Al2 145.99(4) 1_565 7_566 ?
Al3 Ba4 Al2 116.25(4) 3_665 7_566 ?
Al2 Ba4 Al2 116.39(7) 7_676 7_566 ?
Al2 Ba4 Al2 94.86(5) 9_666 7_566 ?
Al2 Ba4 Al2 53.64(10) 8_456 7_566 ?
Al1 Ba4 Al2 141.38(11) 7_566 8_556 ?
Al1 Ba4 Al2 90.07(9) 7_676 8_556 ?
Al1 Ba4 Al2 46.53(11) 7_666 8_556 ?
Al3 Ba4 Al2 145.99(4) 2 8_556 ?
Al3 Ba4 Al2 116.25(4) 1_565 8_556 ?
Al3 Ba4 Al2 95.77(4) 3_665 8_556 ?
Al2 Ba4 Al2 46.99(10) 7_676 8_556 ?
Al2 Ba4 Al2 94.86(5) 9_666 8_556 ?
Al2 Ba4 Al2 116.39(7) 8_456 8_556 ?
Al2 Ba4 Al2 94.86(5) 7_566 8_556 ?
Al1 Ba4 Al2 90.07(9) 7_566 9_656 ?
Al1 Ba4 Al2 141.38(11) 7_676 9_656 ?
Al1 Ba4 Al2 46.53(11) 7_666 9_656 ?
Al3 Ba4 Al2 116.25(4) 2 9_656 ?
Al3 Ba4 Al2 145.99(4) 1_565 9_656 ?
Al3 Ba4 Al2 95.77(4) 3_665 9_656 ?
Al2 Ba4 Al2 94.86(5) 7_676 9_656 ?
Al2 Ba4 Al2 116.39(7) 9_666 9_656 ?
Al2 Ba4 Al2 94.86(5) 8_456 9_656 ?
Al2 Ba4 Al2 46.99(10) 7_566 9_656 ?
Al2 Ba4 Al2 53.64(10) 8_556 9_656 ?
Al2 Al1 Al2 70.32(19) . 2_665 ?
Al2 Al1 Al2 70.32(19) . 3_565 ?
Al2 Al1 Al2 70.32(19) 2_665 3_565 ?
Al2 Al1 Al3 117.64(6) . 1_565 ?
Al2 Al1 Al3 169.76(19) 2_665 1_565 ?
Al2 Al1 Al3 117.64(6) 3_565 1_565 ?
Al2 Al1 Al3 117.64(6) . 2 ?
Al2 Al1 Al3 117.64(6) 2_665 2 ?
Al2 Al1 Al3 169.76(19) 3_565 2 ?
Al3 Al1 Al3 53.70(12) 1_565 2 ?
Al2 Al1 Al3 169.76(19) . 3_665 ?
Al2 Al1 Al3 117.64(6) 2_665 3_665 ?
Al2 Al1 Al3 117.64(6) 3_565 3_665 ?
Al3 Al1 Al3 53.70(12) 1_565 3_665 ?
Al3 Al1 Al3 53.70(12) 2 3_665 ?
Al2 Al1 Ba4 67.87(7) . 7_566 ?
Al2 Al1 Ba4 67.87(7) 2_665 7_566 ?
Al2 Al1 Ba4 128.2(2) 3_565 7_566 ?
Al3 Al1 Ba4 108.15(15) 1_565 7_566 ?
Al3 Al1 Ba4 62.00(6) 2 7_566 ?
Al3 Al1 Ba4 108.15(15) 3_665 7_566 ?
Al2 Al1 Ba4 67.87(7) . 7_676 ?
Al2 Al1 Ba4 128.2(2) 2_665 7_676 ?
Al2 Al1 Ba4 67.87(7) 3_565 7_676 ?
Al3 Al1 Ba4 62.00(6) 1_565 7_676 ?
Al3 Al1 Ba4 108.15(15) 2 7_676 ?
Al3 Al1 Ba4 108.15(15) 3_665 7_676 ?
Ba4 Al1 Ba4 119.64(3) 7_566 7_676 ?
Al2 Al1 Ba4 128.2(2) . 7_666 ?
Al2 Al1 Ba4 67.87(7) 2_665 7_666 ?
Al2 Al1 Ba4 67.87(7) 3_565 7_666 ?
Al3 Al1 Ba4 108.15(15) 1_565 7_666 ?
Al3 Al1 Ba4 108.15(15) 2 7_666 ?
Al3 Al1 Ba4 62.00(6) 3_665 7_666 ?
Ba4 Al1 Ba4 119.64(3) 7_566 7_666 ?
Ba4 Al1 Ba4 119.64(3) 7_676 7_666 ?
Al2 Al1 Ba2 64.46(6) . 1_565 ?
Al2 Al1 Ba2 121.80(11) 2_665 1_565 ?
Al2 Al1 Ba2 121.80(11) 3_565 1_565 ?
Al3 Al1 Ba2 60.82(8) 1_565 1_565 ?
Al3 Al1 Ba2 60.82(8) 2 1_565 ?
Al3 Al1 Ba2 105.30(19) 3_665 1_565 ?
Ba4 Al1 Ba2 62.434(19) 7_566 1_565 ?
Ba4 Al1 Ba2 62.434(19) 7_676 1_565 ?
Ba4 Al1 Ba2 167.3(3) 7_666 1_565 ?
Al2 Al1 Ba2 121.80(11) . 1_665 ?
Al2 Al1 Ba2 121.80(11) 2_665 1_665 ?
Al2 Al1 Ba2 64.46(6) 3_565 1_665 ?
Al3 Al1 Ba2 60.82(8) 1_565 1_665 ?
Al3 Al1 Ba2 105.30(19) 2 1_665 ?
Al3 Al1 Ba2 60.82(8) 3_665 1_665 ?
Ba4 Al1 Ba2 167.3(3) 7_566 1_665 ?
Ba4 Al1 Ba2 62.434(19) 7_676 1_665 ?
Ba4 Al1 Ba2 62.434(19) 7_666 1_665 ?
Ba2 Al1 Ba2 112.59(11) 1_565 1_665 ?
Al2 Al1 Ba2 121.80(11) . . ?
Al2 Al1 Ba2 64.46(6) 2_665 . ?
Al2 Al1 Ba2 121.80(11) 3_565 . ?
Al3 Al1 Ba2 105.30(19) 1_565 . ?
Al3 Al1 Ba2 60.82(8) 2 . ?
Al3 Al1 Ba2 60.82(8) 3_665 . ?
Ba4 Al1 Ba2 62.434(19) 7_566 . ?
Ba4 Al1 Ba2 167.3(3) 7_676 . ?
Ba4 Al1 Ba2 62.434(19) 7_666 . ?
Ba2 Al1 Ba2 112.59(11) 1_565 . ?
Ba2 Al1 Ba2 112.59(11) 1_665 . ?
Al2 Al1A Al2 73.13(15) . 3_565 ?
Al2 Al1A Al2 73.13(15) . 2_665 ?
Al2 Al1A Al2 73.13(15) 3_565 2_665 ?
Al2 Al1A Ba3 136.54(9) . 1_554 ?
Al2 Al1A Ba3 136.54(9) 3_565 1_554 ?
Al2 Al1A Ba3 136.54(9) 2_665 1_554 ?
Al2 Al1A Ba3 68.00(4) . 7_676 ?
Al2 Al1A Ba3 68.00(4) 3_565 7_676 ?
Al2 Al1A Ba3 131.02(16) 2_665 7_676 ?
Ba3 Al1A Ba3 92.45(8) 1_554 7_676 ?
Al2 Al1A Ba3 68.00(4) . 7_566 ?
Al2 Al1A Ba3 131.02(16) 3_565 7_566 ?
Al2 Al1A Ba3 68.00(4) 2_665 7_566 ?
Ba3 Al1A Ba3 92.45(8) 1_554 7_566 ?
Ba3 Al1A Ba3 119.820(12) 7_676 7_566 ?
Al2 Al1A Ba3 131.02(16) . 7_666 ?
Al2 Al1A Ba3 68.00(4) 3_565 7_666 ?
Al2 Al1A Ba3 68.00(4) 2_665 7_666 ?
Ba3 Al1A Ba3 92.45(8) 1_554 7_666 ?
Ba3 Al1A Ba3 119.820(12) 7_676 7_666 ?
Ba3 Al1A Ba3 119.820(12) 7_566 7_666 ?
Al2 Al1A Ba1 72.06(7) . 1_565 ?
Al2 Al1A Ba1 128.54(4) 3_565 1_565 ?
Al2 Al1A Ba1 128.54(4) 2_665 1_565 ?
Ba3 Al1A Ba1 64.48(6) 1_554 1_565 ?
Ba3 Al1A Ba1 64.38(2) 7_676 1_565 ?
Ba3 Al1A Ba1 64.38(2) 7_566 1_565 ?
Ba3 Al1A Ba1 156.93(14) 7_666 1_565 ?
Al2 Al1A Ba1 128.54(4) . . ?
Al2 Al1A Ba1 128.54(4) 3_565 . ?
Al2 Al1A Ba1 72.06(7) 2_665 . ?
Ba3 Al1A Ba1 64.48(6) 1_554 . ?
Ba3 Al1A Ba1 156.93(14) 7_676 . ?
Ba3 Al1A Ba1 64.38(2) 7_566 . ?
Ba3 Al1A Ba1 64.38(2) 7_666 . ?
Ba1 Al1A Ba1 102.81(7) 1_565 . ?
Al2 Al1A Ba1 128.54(4) . 1_665 ?
Al2 Al1A Ba1 72.06(7) 3_565 1_665 ?
Al2 Al1A Ba1 128.54(4) 2_665 1_665 ?
Ba3 Al1A Ba1 64.48(6) 1_554 1_665 ?
Ba3 Al1A Ba1 64.38(2) 7_676 1_665 ?
Ba3 Al1A Ba1 156.93(14) 7_566 1_665 ?
Ba3 Al1A Ba1 64.38(2) 7_666 1_665 ?
Ba1 Al1A Ba1 102.81(7) 1_565 1_665 ?
Ba1 Al1A Ba1 102.81(7) . 1_665 ?
Al1A Al2 Al1 94.86(16) . . ?
Al1A Al2 Al2 126.56(7) . 2_675 ?
Al1 Al2 Al2 125.16(10) . 2_675 ?
Al1A Al2 Al2 126.56(7) . 3_465 ?
Al1 Al2 Al2 125.16(10) . 3_465 ?
Al2 Al2 Al2 60.000(1) 2_675 3_465 ?
Al1A Al2 Al2 53.44(7) . 3_565 ?
Al1 Al2 Al2 54.84(10) . 3_565 ?
Al2 Al2 Al2 120.000(1) 2_675 3_565 ?
Al2 Al2 Al2 180.000(2) 3_465 3_565 ?
Al1A Al2 Al2 53.44(7) . 2_665 ?
Al1 Al2 Al2 54.84(10) . 2_665 ?
Al2 Al2 Al2 180.000(3) 2_675 2_665 ?
Al2 Al2 Al2 120.000(1) 3_465 2_665 ?
Al2 Al2 Al2 60.0 3_565 2_665 ?
Al1A Al2 Ba2 164.45(13) . 1_565 ?
Al1 Al2 Ba2 69.59(12) . 1_565 ?
Al2 Al2 Ba2 66.09(4) 2_675 1_565 ?
Al2 Al2 Ba2 66.09(4) 3_465 1_565 ?
Al2 Al2 Ba2 113.91(4) 3_565 1_565 ?
Al2 Al2 Ba2 113.91(4) 2_665 1_565 ?
Al1A Al2 Ba3 66.85(5) . 7_566 ?
Al1 Al2 Ba3 111.26(7) . 7_566 ?
Al2 Al2 Ba3 117.10(5) 2_675 7_566 ?
Al2 Al2 Ba3 66.27(5) 3_465 7_566 ?
Al2 Al2 Ba3 113.73(5) 3_565 7_566 ?
Al2 Al2 Ba3 62.90(5) 2_665 7_566 ?
Ba2 Al2 Ba3 117.87(4) 1_565 7_566 ?
Al1A Al2 Ba3 66.85(5) . 7_676 ?
Al1 Al2 Ba3 111.26(7) . 7_676 ?
Al2 Al2 Ba3 66.27(5) 2_675 7_676 ?
Al2 Al2 Ba3 117.10(5) 3_465 7_676 ?
Al2 Al2 Ba3 62.90(5) 3_565 7_676 ?
Al2 Al2 Ba3 113.73(5) 2_665 7_676 ?
Ba2 Al2 Ba3 117.87(4) 1_565 7_676 ?
Ba3 Al2 Ba3 118.19(8) 7_566 7_676 ?
Al1A Al2 Ba4 111.17(7) . 7_676 ?
Al1 Al2 Ba4 65.60(6) . 7_676 ?
Al2 Al2 Ba4 66.51(5) 2_675 7_676 ?
Al2 Al2 Ba4 116.82(5) 3_465 7_676 ?
Al2 Al2 Ba4 63.18(5) 3_565 7_676 ?
Al2 Al2 Ba4 113.49(5) 2_665 7_676 ?
Ba2 Al2 Ba4 63.21(4) 1_565 7_676 ?
Ba3 Al2 Ba4 176.39(10) 7_566 7_676 ?
Ba3 Al2 Ba4 62.593(18) 7_676 7_676 ?
Al1A Al2 Ba4 111.17(7) . 7_566 ?
Al1 Al2 Ba4 65.60(6) . 7_566 ?
Al2 Al2 Ba4 116.82(5) 2_675 7_566 ?
Al2 Al2 Ba4 66.51(5) 3_465 7_566 ?
Al2 Al2 Ba4 113.49(5) 3_565 7_566 ?
Al2 Al2 Ba4 63.18(5) 2_665 7_566 ?
Ba2 Al2 Ba4 63.21(4) 1_565 7_566 ?
Ba3 Al2 Ba4 62.593(18) 7_566 7_566 ?
Ba3 Al2 Ba4 176.39(10) 7_676 7_566 ?
Ba4 Al2 Ba4 116.39(7) 7_676 7_566 ?
Al1A Al2 Ba1 67.79(9) . 1_565 ?
Al1 Al2 Ba1 162.65(15) . 1_565 ?
Al2 Al2 Ba1 69.10(4) 2_675 1_565 ?
Al2 Al2 Ba1 69.10(4) 3_465 1_565 ?
Al2 Al2 Ba1 110.90(4) 3_565 1_565 ?
Al2 Al2 Ba1 110.90(4) 2_665 1_565 ?
Ba2 Al2 Ba1 127.76(9) 1_565 1_565 ?
Ba3 Al2 Ba1 62.96(4) 7_566 1_565 ?
Ba3 Al2 Ba1 62.96(4) 7_676 1_565 ?
Ba4 Al2 Ba1 119.47(5) 7_676 1_565 ?
Ba4 Al2 Ba1 119.47(5) 7_566 1_565 ?
Al3 Al3 Al3 180.0 2_655 2_545 ?
Al3 Al3 Al3 60.0 2_655 3_665 ?
Al3 Al3 Al3 120.0 2_545 3_665 ?
Al3 Al3 Al3 120.0 2_655 3_655 ?
Al3 Al3 Al3 60.0 2_545 3_655 ?
Al3 Al3 Al3 180.0 3_665 3_655 ?
Al3 Al3 Al1 63.15(6) 2_655 7_666 ?
Al3 Al3 Al1 116.85(6) 2_545 7_666 ?
Al3 Al3 Al1 63.15(6) 3_665 7_666 ?
Al3 Al3 Al1 116.85(6) 3_655 7_666 ?
Al3 Al3 Al1 116.85(6) 2_655 1_545 ?
Al3 Al3 Al1 63.15(6) 2_545 1_545 ?
Al3 Al3 Al1 116.85(6) 3_665 1_545 ?
Al3 Al3 Al1 63.15(6) 3_655 1_545 ?
Al1 Al3 Al1 180.0 7_666 1_545 ?
Al3 Al3 Ba4 115.373(6) 2_655 1_545 ?
Al3 Al3 Ba4 64.627(6) 2_545 1_545 ?
Al3 Al3 Ba4 115.373(6) 3_665 1_545 ?
Al3 Al3 Ba4 64.627(6) 3_655 1_545 ?
Al1 Al3 Ba4 61.09(7) 7_666 1_545 ?
Al1 Al3 Ba4 118.91(7) 1_545 1_545 ?
Al3 Al3 Ba4 64.627(6) 2_655 7_666 ?
Al3 Al3 Ba4 115.373(6) 2_545 7_666 ?
Al3 Al3 Ba4 64.627(6) 3_665 7_666 ?
Al3 Al3 Ba4 115.373(6) 3_655 7_666 ?
Al1 Al3 Ba4 118.91(7) 7_666 7_666 ?
Al1 Al3 Ba4 61.09(7) 1_545 7_666 ?
Ba4 Al3 Ba4 180.0 1_545 7_666 ?
Al3 Al3 Ba2 115.262(4) 2_655 . ?
Al3 Al3 Ba2 64.738(4) 2_545 . ?
Al3 Al3 Ba2 64.738(4) 3_665 . ?
Al3 Al3 Ba2 115.262(4) 3_655 . ?
Al1 Al3 Ba2 116.40(2) 7_666 . ?
Al1 Al3 Ba2 63.60(2) 1_545 . ?
Ba4 Al3 Ba2 116.924(11) 1_545 . ?
Ba4 Al3 Ba2 63.076(11) 7_666 . ?
Al3 Al3 Ba2 64.738(4) 2_655 7_656 ?
Al3 Al3 Ba2 115.262(4) 2_545 7_656 ?
Al3 Al3 Ba2 115.262(4) 3_665 7_656 ?
Al3 Al3 Ba2 64.738(4) 3_655 7_656 ?
Al1 Al3 Ba2 63.60(2) 7_666 7_656 ?
Al1 Al3 Ba2 116.40(2) 1_545 7_656 ?
Ba4 Al3 Ba2 63.076(11) 1_545 7_656 ?
Ba4 Al3 Ba2 116.924(11) 7_666 7_656 ?
Ba2 Al3 Ba2 180.00(3) . 7_656 ?
Al3 Al3 Ba2 64.738(4) 2_655 1_655 ?
Al3 Al3 Ba2 115.262(4) 2_545 1_655 ?
Al3 Al3 Ba2 115.262(4) 3_665 1_655 ?
Al3 Al3 Ba2 64.738(4) 3_655 1_655 ?
Al1 Al3 Ba2 116.40(2) 7_666 1_655 ?
Al1 Al3 Ba2 63.60(2) 1_545 1_655 ?
Ba4 Al3 Ba2 116.924(11) 1_545 1_655 ?
Ba4 Al3 Ba2 63.076(11) 7_666 1_655 ?
Ba2 Al3 Ba2 117.19(3) . 1_655 ?
Ba2 Al3 Ba2 62.81(3) 7_656 1_655 ?
Al3 Al3 Ba2 115.262(4) 2_655 7_556 ?
Al3 Al3 Ba2 64.738(4) 2_545 7_556 ?
Al3 Al3 Ba2 64.738(4) 3_665 7_556 ?
Al3 Al3 Ba2 115.262(4) 3_655 7_556 ?
Al1 Al3 Ba2 63.60(2) 7_666 7_556 ?
Al1 Al3 Ba2 116.40(2) 1_545 7_556 ?
Ba4 Al3 Ba2 63.076(11) 1_545 7_556 ?
Ba4 Al3 Ba2 116.924(11) 7_666 7_556 ?
Ba2 Al3 Ba2 62.81(3) . 7_556 ?
Ba2 Al3 Ba2 117.19(3) 7_656 7_556 ?
Ba2 Al3 Ba2 180.0 1_655 7_556 ?
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
Ba1 Al1A 3.902(2) 7_565 ?
Ba1 Al1A 3.902(2) 1_545 ?
Ba1 Al1A 3.902(2) 7 ?
Ba1 Al1A 3.902(2) . ?
Ba1 Al1A 3.902(2) 7_665 ?
Ba1 Al1A 3.902(2) 1_445 ?
Ba1 Ba3 3.9694(4) 1_544 ?
Ba1 Ba3 3.9694(4) 1_444 ?
Ba1 Ba3 3.9694(4) 7_566 ?
Ba1 Ba3 3.9694(4) 7_666 ?
Ba1 Ba3 3.9694(4) 1_554 ?
Ba1 Ba3 3.9694(4) 7_556 ?
Ba2 Al2 3.529(3) 3_455 ?
Ba2 Al2 3.529(3) 1_545 ?
Ba2 Al2 3.529(3) 2_665 ?
Ba2 Al3 3.5733(5) 3_665 ?
Ba2 Al3 3.5733(5) 2 ?
Ba2 Al3 3.5733(5) . ?
Ba2 Al3 3.5733(5) 3 ?
Ba2 Al3 3.5733(5) 2_545 ?
Ba2 Al3 3.5733(5) 1_455 ?
Ba2 Al1 3.666(2) 1_545 ?
Ba2 Al1 3.666(2) 1_445 ?
Ba2 Al1 3.666(2) . ?
Ba2 Ba2 3.7239(19) 7_556 ?
Ba2 Ba4 3.7304(5) 7_566 ?
Ba2 Ba4 3.7304(5) 7_556 ?
Ba2 Ba4 3.7304(5) 7_666 ?
Ba3 Al1A 3.512(5) 1_556 ?
Ba3 Al1A 3.5249(3) 7_676 ?
Ba3 Al1A 3.5249(3) 7_566 ?
Ba3 Al1A 3.5249(3) 7_666 ?
Ba3 Al2 3.5545(14) 7_566 ?
Ba3 Al2 3.5545(14) 8_456 ?
Ba3 Al2 3.5545(14) 9_666 ?
Ba3 Al2 3.5545(14) 7_676 ?
Ba3 Al2 3.5545(14) 9_656 ?
Ba3 Al2 3.5545(14) 8_556 ?
Ba3 Ba4 3.7108(13) . ?
Ba3 Ba1 3.9694(4) 1_566 ?
Ba4 Al1 3.5280(5) 7_566 ?
Ba4 Al1 3.5280(6) 7_676 ?
Ba4 Al1 3.5280(5) 7_666 ?
Ba4 Al3 3.5586(8) 2 ?
Ba4 Al3 3.5586(8) 1_565 ?
Ba4 Al3 3.5586(8) 3_665 ?
Ba4 Al2 3.5888(15) 7_676 ?
Ba4 Al2 3.5888(15) 9_666 ?
Ba4 Al2 3.5888(15) 8_456 ?
Ba4 Al2 3.5888(15) 7_566 ?
Ba4 Al2 3.5888(14) 8_556 ?
Ba4 Al2 3.5888(14) 9_656 ?
Al1 Al2 2.812(7) . ?
Al1 Al2 2.812(7) 2_665 ?
Al1 Al2 2.812(7) 3_565 ?
Al1 Al3 3.376(7) 1_565 ?
Al1 Al3 3.376(7) 2 ?
Al1 Al3 3.376(7) 3_665 ?
Al1 Ba4 3.5280(5) 7_566 ?
Al1 Ba4 3.5280(5) 7_676 ?
Al1 Ba4 3.5280(5) 7_666 ?
Al1 Ba2 3.666(2) 1_565 ?
Al1 Ba2 3.666(2) 1_665 ?
Al1A Al2 2.718(4) . ?
Al1A Al2 2.718(4) 3_565 ?
Al1A Al2 2.718(4) 2_665 ?
Al1A Ba3 3.512(5) 1_554 ?
Al1A Ba3 3.5249(3) 7_676 ?
Al1A Ba3 3.5249(3) 7_566 ?
Al1A Ba3 3.5249(3) 7_666 ?
Al1A Ba1 3.902(2) 1_565 ?
Al1A Ba1 3.902(2) 1_665 ?
Al2 Al2 2.861(6) 2_675 ?
Al2 Al2 2.861(6) 3_465 ?
Al2 Al2 3.238(6) 3_565 ?
Al2 Al2 3.238(6) 2_665 ?
Al2 Ba2 3.529(3) 1_565 ?
Al2 Ba3 3.5545(14) 7_566 ?
Al2 Ba3 3.5545(14) 7_676 ?
Al2 Ba4 3.5888(14) 7_676 ?
Al2 Ba4 3.5888(14) 7_566 ?
Al2 Ba1 4.010(3) 1_565 ?
Al3 Al3 3.04985(13) 2_655 ?
Al3 Al3 3.04984(13) 2_545 ?
Al3 Al3 3.04984(13) 3_665 ?
Al3 Al3 3.04984(13) 3_655 ?
Al3 Al1 3.376(7) 7_666 ?
Al3 Al1 3.376(7) 1_545 ?
Al3 Ba4 3.5586(8) 1_545 ?
Al3 Ba4 3.5586(8) 7_666 ?
Al3 Ba2 3.5733(5) 7_656 ?
Al3 Ba2 3.5733(5) 1_655 ?
Al3 Ba2 3.5733(5) 7_556 ?
