#------------------------------------------------------------------------------
#$Date: 2023-12-08 16:16:31 +0200 (Fri, 08 Dec 2023) $
#$Revision: 288183 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/31/13/4311318.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_4311318
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            'Al40 Ba21'
_chemical_formula_weight         3963.34
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_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                   10.5681(14)
_cell_length_b                   10.5681(14)
_cell_length_c                   17.205(6)
_cell_measurement_reflns_used    27
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      43.22
_cell_measurement_theta_min      7.70
_cell_volume                     1664.1(7)
_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 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Stoe IPDS (version 2.87)'
_diffrn_measurement_method       'fi scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0093
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            15692
_diffrn_reflns_theta_full        27.83
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         2.37
_diffrn_standards_interval_count 6.0
_exptl_absorpt_coefficient_mu    12.728
_exptl_absorpt_correction_T_max  0.2105
_exptl_absorpt_correction_T_min  0.1384
_exptl_absorpt_correction_type   'numerical (X-shape, (Stoe & Cie, 1997))'
_exptl_crystal_colour            silver
_exptl_crystal_density_diffrn    3.955
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'needle-like shape'
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.022
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.175
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.12(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     115
_refine_ls_number_reflns         1425
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.956
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0238
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0616
_reflns_number_gt                1184
_reflns_number_total             1425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0400235_1.cif
_cod_data_source_block           Ba21Al40
_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        1669.16(14)
_cod_original_formula_sum        Ba21Al40
_cod_database_code               4311318
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'y, x, z'
'-x+y, -x, z'
'-x, -x+y, z'
'x-y, -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
Ba11 Ba 0.32948(6) 0.0000 0.00062(13) 0.02111(14) Uani 1 2 d S . .
Ba21 Ba 0.32277(8) 0.0000 0.60696(5) 0.0104(2) Uani 1 2 d S . .
Ba22 Ba 0.0000 0.33208(7) 0.39132(6) 0.0101(2) Uani 1 2 d S . .
Ba31 Ba 0.66502(7) 0.0000 0.89317(6) 0.0099(2) Uani 1 2 d S . .
Ba32 Ba 0.6667 0.3333 0.10476(6) 0.0092(3) Uani 1 3 d S . .
Ba33 Ba 0.0000 0.0000 0.10662(8) 0.0093(3) Uani 1 6 d S . .
Ba41 Ba 0.67063(7) 0.0000 0.67915(4) 0.0088(2) Uani 1 2 d S . .
Ba42 Ba 0.6667 0.3333 0.31998(5) 0.0098(2) Uani 1 3 d S . .
Ba43 Ba 0.0000 0.0000 0.32311(7) 0.0097(3) Uani 1 6 d S . .
B1A Al 0.0000 0.0000 0.6920(5) 0.0157(14) Uani 1 6 d S . .
B1B Al 0.6667 0.3333 0.6532(3) 0.0137(11) Uani 1 3 d S . .
B1C Al 0.3309(3) 0.3309(3) 0.3307(4) 0.0146(10) Uani 1 2 d S . .
B1AA Al 0.0000 0.0000 0.9007(5) 0.0117(15) Uani 1 6 d S . .
B1BB Al 0.6667 0.3333 0.9036(3) 0.0111(13) Uani 1 3 d S . .
B1CC Al 0.3342(3) 0.3342(3) 0.0976(3) 0.0097(11) Uani 1 2 d S . .
B2A Al 0.1942(4) 0.0000 0.7940(3) 0.0131(8) Uani 1 2 d S . .
B2B Al 0.8363(4) 0.3363(3) 0.7853(2) 0.0121(6) Uani 1 1 d . . .
B2C Al 0.1551(4) 0.3328(3) 0.21120(18) 0.0107(5) Uani 1 1 d . . .
B2D Al 0.4892(4) 0.0000 0.2117(2) 0.0102(7) Uani 1 2 d S . .
B3A Al 0.0000 0.0000 0.5341(4) 0.0214(14) Uani 1 6 d S . .
B3B Al 0.8168(3) 0.4803(3) 0.5086(2) 0.0189(7) Uani 1 1 d . . .
B3C Al 0.0000 0.7591(4) 0.4793(2) 0.0192(8) Uani 1 2 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
B2A Ba11 B1AA 41.79(13) 1_554 1_554 ?
B2A Ba11 B1CC 103.65(8) 1_554 . ?
B1AA Ba11 B1CC 78.23(6) 1_554 . ?
B2A Ba11 B1CC 103.65(8) 1_554 4 ?
B1AA Ba11 B1CC 78.23(6) 1_554 4 ?
B1CC Ba11 B1CC 103.79(11) . 4 ?
B2A Ba11 B1BB 76.94(8) 1_554 3_544 ?
B1AA Ba11 B1BB 102.82(9) 1_554 3_544 ?
B1CC Ba11 B1BB 178.82(5) . 3_544 ?
B1CC Ba11 B1BB 76.99(5) 4 3_544 ?
B2A Ba11 B1BB 76.94(8) 1_554 1_554 ?
B1AA Ba11 B1BB 102.82(9) 1_554 1_554 ?
B1CC Ba11 B1BB 76.99(5) . 1_554 ?
B1CC Ba11 B1BB 178.82(5) 4 1_554 ?
B1BB Ba11 B1BB 102.22(9) 3_544 1_554 ?
B2A Ba11 Ba33 95.91(7) 1_554 . ?
B1AA Ba11 Ba33 54.12(10) 1_554 . ?
B1CC Ba11 Ba33 53.74(5) . . ?
B1CC Ba11 Ba33 53.74(5) 4 . ?
B1BB Ba11 Ba33 127.30(2) 3_544 . ?
B1BB Ba11 Ba33 127.30(2) 1_554 . ?
B2A Ba11 Ba31 53.55(3) 1_554 2_544 ?
B1AA Ba11 Ba31 53.57(3) 1_554 2_544 ?
B1CC Ba11 Ba31 128.21(4) . 2_544 ?
B1CC Ba11 Ba31 53.40(7) 4 2_544 ?
B1BB Ba11 Ba31 52.96(3) 3_544 2_544 ?
B1BB Ba11 Ba31 126.81(9) 1_554 2_544 ?
Ba33 Ba11 Ba31 80.563(15) . 2_544 ?
B2A Ba11 Ba31 53.55(3) 1_554 4_664 ?
B1AA Ba11 Ba31 53.57(3) 1_554 4_664 ?
B1CC Ba11 Ba31 53.40(7) . 4_664 ?
B1CC Ba11 Ba31 128.21(4) 4 4_664 ?
B1BB Ba11 Ba31 126.81(9) 3_544 4_664 ?
B1BB Ba11 Ba31 52.96(3) 1_554 4_664 ?
Ba33 Ba11 Ba31 80.563(15) . 4_664 ?
Ba31 Ba11 Ba31 101.05(4) 2_544 4_664 ?
B2A Ba11 Ba32 126.08(4) 1_554 . ?
B1AA Ba11 Ba32 127.40(3) 1_554 . ?
B1CC Ba11 Ba32 53.20(4) . . ?
B1CC Ba11 Ba32 127.53(9) 4 . ?
B1BB Ba11 Ba32 125.63(3) 3_544 . ?
B1BB Ba11 Ba32 52.23(8) 1_554 . ?
Ba33 Ba11 Ba32 100.99(4) . . ?
Ba31 Ba11 Ba32 178.45(4) 2_544 . ?
Ba31 Ba11 Ba32 79.306(11) 4_664 . ?
B2A Ba11 Ba32 126.08(4) 1_554 3_545 ?
B1AA Ba11 Ba32 127.40(3) 1_554 3_545 ?
B1CC Ba11 Ba32 127.53(9) . 3_545 ?
B1CC Ba11 Ba32 53.20(4) 4 3_545 ?
B1BB Ba11 Ba32 52.23(8) 3_544 3_545 ?
B1BB Ba11 Ba32 125.63(3) 1_554 3_545 ?
Ba33 Ba11 Ba32 100.99(4) . 3_545 ?
Ba31 Ba11 Ba32 79.306(11) 2_544 3_545 ?
Ba31 Ba11 Ba32 178.45(4) 4_664 3_545 ?
Ba32 Ba11 Ba32 100.30(4) . 3_545 ?
B2A Ba11 B2C 140.76(6) 1_554 3 ?
B1AA Ba11 B2C 103.26(11) 1_554 3 ?
B1CC Ba11 B2C 40.43(9) . 3 ?
B1CC Ba11 B2C 78.45(8) 4 3 ?
B1BB Ba11 B2C 139.33(9) 3_544 3 ?
B1BB Ba11 B2C 101.75(8) 1_554 3 ?
Ba33 Ba11 B2C 53.17(5) . 3 ?
Ba31 Ba11 B2C 128.10(5) 2_544 3 ?
Ba31 Ba11 B2C 93.83(6) 4_664 3 ?
Ba32 Ba11 B2C 53.29(5) . 3 ?
Ba32 Ba11 B2C 87.11(6) 3_545 3 ?
B2A Ba21 B3B 118.47(6) . 5_655 ?
B2A Ba21 B3B 118.47(6) . 2_655 ?
B3B Ba21 B3B 121.49(11) 5_655 2_655 ?
B2A Ba21 B3B 136.71(8) . 4_665 ?
B3B Ba21 B3B 96.78(7) 5_655 4_665 ?
B3B Ba21 B3B 45.15(11) 2_655 4_665 ?
B2A Ba21 B3B 136.71(8) . 3_545 ?
B3B Ba21 B3B 45.15(11) 5_655 3_545 ?
B3B Ba21 B3B 96.78(7) 2_655 3_545 ?
B3B Ba21 B3B 56.31(10) 4_665 3_545 ?
B2A Ba21 B2B 46.69(9) . 4_665 ?
B3B Ba21 B2B 139.19(7) 5_655 4_665 ?
B3B Ba21 B2B 91.42(7) 2_655 4_665 ?
B3B Ba21 B2B 90.31(8) 4_665 4_665 ?
B3B Ba21 B2B 113.66(8) 3_545 4_665 ?
B2A Ba21 B2B 46.69(9) . 3_545 ?
B3B Ba21 B2B 91.42(7) 5_655 3_545 ?
B3B Ba21 B2B 139.19(7) 2_655 3_545 ?
B3B Ba21 B2B 113.66(8) 4_665 3_545 ?
B3B Ba21 B2B 90.31(8) 3_545 3_545 ?
B2B Ba21 B2B 49.61(10) 4_665 3_545 ?
B2A Ba21 B3A 87.44(12) . . ?
B3B Ba21 B3A 85.07(7) 5_655 . ?
B3B Ba21 B3A 85.07(7) 2_655 . ?
B3B Ba21 B3A 121.98(11) 4_665 . ?
B3B Ba21 B3A 121.98(11) 3_545 . ?
B2B Ba21 B3A 124.28(10) 4_665 . ?
B2B Ba21 B3A 124.28(10) 3_545 . ?
B2A Ba21 Ba41 60.64(3) . 2_545 ?
B3B Ba21 Ba41 59.02(6) 5_655 2_545 ?
B3B Ba21 Ba41 156.98(6) 2_655 2_545 ?
B3B Ba21 Ba41 152.67(6) 4_665 2_545 ?
B3B Ba21 Ba41 96.45(5) 3_545 2_545 ?
B2B Ba21 Ba41 100.38(7) 4_665 2_545 ?
B2B Ba21 Ba41 59.34(4) 3_545 2_545 ?
B3A Ba21 Ba41 71.95(5) . 2_545 ?
B2A Ba21 Ba41 60.64(3) . 4_665 ?
B3B Ba21 Ba41 156.98(6) 5_655 4_665 ?
B3B Ba21 Ba41 59.02(6) 2_655 4_665 ?
B3B Ba21 Ba41 96.45(5) 4_665 4_665 ?
B3B Ba21 Ba41 152.67(6) 3_545 4_665 ?
B2B Ba21 Ba41 59.34(4) 4_665 4_665 ?
B2B Ba21 Ba41 100.38(7) 3_545 4_665 ?
B3A Ba21 Ba41 71.95(5) . 4_665 ?
Ba41 Ba21 Ba41 110.67(4) 2_545 4_665 ?
B2A Ba21 B1B 89.85(10) . 3_545 ?
B3B Ba21 B1B 48.33(9) 5_655 3_545 ?
B3B Ba21 B1B 141.86(8) 2_655 3_545 ?
B3B Ba21 B1B 96.79(7) 4_665 3_545 ?
B3B Ba21 B1B 48.18(9) 3_545 3_545 ?
B2B Ba21 B1B 90.98(9) 4_665 3_545 ?
B2B Ba21 B1B 47.09(11) 3_545 3_545 ?
B3A Ba21 B1B 123.67(3) . 3_545 ?
Ba41 Ba21 B1B 58.30(3) 2_545 3_545 ?
Ba41 Ba21 B1B 147.44(10) 4_665 3_545 ?
B2A Ba21 B1B 89.85(10) . . ?
B3B Ba21 B1B 141.86(8) 5_655 . ?
B3B Ba21 B1B 48.33(9) 2_655 . ?
B3B Ba21 B1B 48.18(9) 4_665 . ?
B3B Ba21 B1B 96.79(7) 3_545 . ?
B2B Ba21 B1B 47.09(11) 4_665 . ?
B2B Ba21 B1B 90.98(9) 3_545 . ?
B3A Ba21 B1B 123.67(3) . . ?
Ba41 Ba21 B1B 147.44(10) 2_545 . ?
Ba41 Ba21 B1B 58.30(3) 4_665 . ?
B1B Ba21 B1B 112.56(7) 3_545 . ?
B3C Ba22 B3C 78.38(14) 3_455 2_665 ?
B3C Ba22 B2C 88.97(9) 3_455 5 ?
B3C Ba22 B2C 119.51(8) 2_665 5 ?
B3C Ba22 B2C 119.51(8) 3_455 . ?
B3C Ba22 B2C 88.98(9) 2_665 . ?
B2C Ba22 B2C 47.64(11) 5 . ?
B3C Ba22 B2D 133.35(8) 3_455 2 ?
B3C Ba22 B2D 133.35(8) 2_665 2 ?
B2C Ba22 B2D 47.82(9) 5 2 ?
B2C Ba22 B2D 47.82(9) . 2 ?
B3C Ba22 B3B 119.55(10) 3_455 5_665 ?
B3C Ba22 B3B 85.02(8) 2_665 5_665 ?
B2C Ba22 B3B 146.81(8) 5 5_665 ?
B2C Ba22 B3B 117.78(7) . 5_665 ?
B2D Ba22 B3B 99.32(7) 2 5_665 ?
B3C Ba22 B3B 85.02(8) 3_455 1_455 ?
B3C Ba22 B3B 119.55(10) 2_665 1_455 ?
B2C Ba22 B3B 117.78(7) 5 1_455 ?
B2C Ba22 B3B 146.81(8) . 1_455 ?
B2D Ba22 B3B 99.32(7) 2 1_455 ?
B3B Ba22 B3B 54.65(11) 5_665 1_455 ?
B3C Ba22 B1C 44.96(10) 3_455 2 ?
B3C Ba22 B1C 109.83(8) 2_665 2 ?
B2C Ba22 B1C 45.64(11) 5 2 ?
B2C Ba22 B1C 88.28(11) . 2 ?
B2D Ba22 B1C 88.56(10) 2 2 ?
B3B Ba22 B1C 150.83(10) 5_665 2 ?
B3B Ba22 B1C 96.47(9) 1_455 2 ?
B3C Ba22 B1C 109.83(8) 3_455 . ?
B3C Ba22 B1C 44.96(10) 2_665 . ?
B2C Ba22 B1C 88.28(11) 5 . ?
B2C Ba22 B1C 45.64(11) . . ?
B2D Ba22 B1C 88.56(10) 2 . ?
B3B Ba22 B1C 96.47(9) 5_665 . ?
B3B Ba22 B1C 150.83(10) 1_455 . ?
B1C Ba22 B1C 111.85(13) 2 . ?
B3C Ba22 B3B 108.88(10) 3_455 6_565 ?
B3C Ba22 B3B 43.07(7) 2_665 6_565 ?
B2C Ba22 B3B 146.67(8) 5 6_565 ?
B2C Ba22 B3B 99.31(7) . 6_565 ?
B2D Ba22 B3B 117.24(7) 2 6_565 ?
B3B Ba22 B3B 43.46(10) 5_665 6_565 ?
B3B Ba22 B3B 92.28(7) 1_455 6_565 ?
B1C Ba22 B3B 151.01(9) 2 6_565 ?
B1C Ba22 B3B 59.53(10) . 6_565 ?
B3C Ba22 B3B 43.07(7) 3_455 4_565 ?
B3C Ba22 B3B 108.88(10) 2_665 4_565 ?
B2C Ba22 B3B 99.31(7) 5 4_565 ?
B2C Ba22 B3B 146.67(8) . 4_565 ?
B2D Ba22 B3B 117.24(6) 2 4_565 ?
B3B Ba22 B3B 92.28(7) 5_665 4_565 ?
B3B Ba22 B3B 43.46(10) 1_455 4_565 ?
B1C Ba22 B3B 59.53(10) 2 4_565 ?
B1C Ba22 B3B 151.01(9) . 4_565 ?
B3B Ba22 B3B 113.04(11) 6_565 4_565 ?
B3C Ba22 Ba43 62.02(6) 3_455 . ?
B3C Ba22 Ba43 62.02(6) 2_665 . ?
B2C Ba22 Ba43 59.95(5) 5 . ?
B2C Ba22 Ba43 59.95(5) . . ?
B2D Ba22 Ba43 99.59(7) 2 . ?
B3B Ba22 Ba43 146.55(5) 5_665 . ?
B3B Ba22 Ba43 146.55(5) 1_455 . ?
B1C Ba22 Ba43 56.79(5) 2 . ?
B1C Ba22 Ba43 56.79(5) . . ?
B3B Ba22 Ba43 103.13(5) 6_565 . ?
B3B Ba22 Ba43 103.13(5) 4_565 . ?
B1BB Ba31 B1BB 120.23(3) . 3_545 ?
B1BB Ba31 B2A 86.63(8) . 2_655 ?
B1BB Ba31 B2A 144.68(10) 3_545 2_655 ?
B1BB Ba31 B2A 144.68(10) . 4_655 ?
B1BB Ba31 B2A 86.63(8) 3_545 4_655 ?
B2A Ba31 B2A 60.58(14) 2_655 4_655 ?
B1BB Ba31 B1CC 87.13(10) . 2_656 ?
B1BB Ba31 B1CC 87.13(10) 3_545 2_656 ?
B2A Ba31 B1CC 118.99(8) 2_655 2_656 ?
B2A Ba31 B1CC 118.99(8) 4_655 2_656 ?
B1BB Ba31 B2B 91.63(8) . 3_545 ?
B1BB Ba31 B2B 45.14(10) 3_545 3_545 ?
B2A Ba31 B2B 118.91(9) 2_655 3_545 ?
B2A Ba31 B2B 93.25(9) 4_655 3_545 ?
B1CC Ba31 B2B 121.89(7) 2_656 3_545 ?
B1BB Ba31 B2B 45.14(10) . 4_665 ?
B1BB Ba31 B2B 91.63(8) 3_545 4_665 ?
B2A Ba31 B2B 93.25(9) 2_655 4_665 ?
B2A Ba31 B2B 118.91(9) 4_655 4_665 ?
B1CC Ba31 B2B 121.89(7) 2_656 4_665 ?
B2B Ba31 B2B 50.07(13) 3_545 4_665 ?
B1BB Ba31 B1AA 119.567(18) . 1_655 ?
B1BB Ba31 B1AA 119.567(17) 3_545 1_655 ?
B2A Ba31 B1AA 45.95(11) 2_655 1_655 ?
B2A Ba31 B1AA 45.95(11) 4_655 1_655 ?
B1CC Ba31 B1AA 87.78(13) 2_656 1_655 ?
B2B Ba31 B1AA 139.11(11) 3_545 1_655 ?
B2B Ba31 B1AA 139.11(12) 4_665 1_655 ?
B1BB Ba31 B2B 140.60(9) . 6 ?
B1BB Ba31 B2B 44.73(10) 3_545 6 ?
B2A Ba31 B2B 99.95(10) 2_655 6 ?
B2A Ba31 B2B 46.37(10) 4_655 6 ?
B1CC Ba31 B2B 121.20(5) 2_656 6 ?
B2B Ba31 B2B 51.11(13) 3_545 6 ?
B2B Ba31 B2B 95.51(7) 4_665 6 ?
B1AA Ba31 B2B 90.55(9) 1_655 6 ?
B1BB Ba31 B2B 44.73(10) . . ?
B1BB Ba31 B2B 140.60(9) 3_545 . ?
B2A Ba31 B2B 46.37(10) 2_655 . ?
B2A Ba31 B2B 99.95(10) 4_655 . ?
B1CC Ba31 B2B 121.20(5) 2_656 . ?
B2B Ba31 B2B 95.51(7) 3_545 . ?
B2B Ba31 B2B 51.11(13) 4_665 . ?
B1AA Ba31 B2B 90.55(9) 1_655 . ?
B2B Ba31 B2B 117.59(11) 6 . ?
B1BB Ba31 Ba41 93.39(9) . . ?
B1BB Ba31 Ba41 93.39(9) 3_545 . ?
B2A Ba31 Ba41 60.16(7) 2_655 . ?
B2A Ba31 Ba41 60.16(7) 4_655 . ?
B1CC Ba31 Ba41 178.95(6) 2_656 . ?
B2B Ba31 Ba41 59.02(5) 3_545 . ?
B2B Ba31 Ba41 59.02(5) 4_665 . ?
B1AA Ba31 Ba41 91.17(13) 1_655 . ?
B2B Ba31 Ba41 58.79(5) 6 . ?
B2B Ba31 Ba41 58.79(5) . . ?
B1BB Ba31 Ba11 62.76(5) . 2_656 ?
B1BB Ba31 Ba11 149.19(10) 3_545 2_656 ?
B2A Ba31 Ba11 61.38(7) 2_655 2_656 ?
B2A Ba31 Ba11 106.68(7) 4_655 2_656 ?
B1CC Ba31 Ba11 62.07(4) 2_656 2_656 ?
B2B Ba31 Ba11 154.34(7) 3_545 2_656 ?
B2B Ba31 Ba11 105.00(6) 4_665 2_656 ?
B1AA Ba31 Ba11 61.98(7) 1_655 2_656 ?
B2B Ba31 Ba11 152.52(7) 6 2_656 ?
B2B Ba31 Ba11 65.70(6) . 2_656 ?
Ba41 Ba31 Ba11 117.39(3) . 2_656 ?
B1BB Ba32 B1CC 87.99(8) 1_554 2_655 ?
B1BB Ba32 B1CC 87.99(8) 1_554 4_665 ?
B1CC Ba32 B1CC 119.879(10) 2_655 4_665 ?
B1BB Ba32 B1CC 87.99(8) 1_554 . ?
B1CC Ba32 B1CC 119.879(10) 2_655 . ?
B1CC Ba32 B1CC 119.879(10) 4_665 . ?
B1BB Ba32 B2D 121.17(5) 1_554 2_655 ?
B1CC Ba32 B2D 89.32(8) 2_655 2_655 ?
B1CC Ba32 B2D 45.01(9) 4_665 2_655 ?
B1CC Ba32 B2D 140.64(9) . 2_655 ?
B1BB Ba32 B2D 121.17(5) 1_554 . ?
B1CC Ba32 B2D 45.01(9) 2_655 . ?
B1CC Ba32 B2D 140.64(9) 4_665 . ?
B1CC Ba32 B2D 89.32(8) . . ?
B2D Ba32 B2D 95.63(7) 2_655 . ?
B1BB Ba32 B2D 121.17(5) 1_554 4_665 ?
B1CC Ba32 B2D 140.64(9) 2_655 4_665 ?
B1CC Ba32 B2D 89.32(8) 4_665 4_665 ?
B1CC Ba32 B2D 45.01(9) . 4_665 ?
B2D Ba32 B2D 95.63(7) 2_655 4_665 ?
B2D Ba32 B2D 95.63(7) . 4_665 ?
B1BB Ba32 B2C 121.02(5) 1_554 5_655 ?
B1CC Ba32 B2C 45.14(9) 2_655 5_655 ?
B1CC Ba32 B2C 89.01(8) 4_665 5_655 ?
B1CC Ba32 B2C 140.97(9) . 5_655 ?
B2D Ba32 B2C 47.10(11) 2_655 5_655 ?
B2D Ba32 B2C 54.28(11) . 5_655 ?
B2D Ba32 B2C 117.67(9) 4_665 5_655 ?
B1BB Ba32 B2C 121.02(5) 1_554 6_665 ?
B1CC Ba32 B2C 140.97(9) 2_655 6_665 ?
B1CC Ba32 B2C 45.14(9) 4_665 6_665 ?
B1CC Ba32 B2C 89.01(8) . 6_665 ?
B2D Ba32 B2C 54.28(11) 2_655 6_665 ?
B2D Ba32 B2C 117.67(9) . 6_665 ?
B2D Ba32 B2C 47.10(11) 4_665 6_665 ?
B2C Ba32 B2C 95.84(7) 5_655 6_665 ?
B1BB Ba32 B2C 121.02(5) 1_554 3 ?
B1CC Ba32 B2C 89.01(8) 2_655 3 ?
B1CC Ba32 B2C 140.97(9) 4_665 3 ?
B1CC Ba32 B2C 45.14(9) . 3 ?
B2D Ba32 B2C 117.67(9) 2_655 3 ?
B2D Ba32 B2C 47.10(11) . 3 ?
B2D Ba32 B2C 54.28(11) 4_665 3 ?
B2C Ba32 B2C 95.84(7) 5_655 3 ?
B2C Ba32 B2C 95.84(7) 6_665 3 ?
B1BB Ba32 Ba42 180.0 1_554 . ?
B1CC Ba32 Ba42 92.01(8) 2_655 . ?
B1CC Ba32 Ba42 92.01(8) 4_665 . ?
B1CC Ba32 Ba42 92.01(8) . . ?
B2D Ba32 Ba42 58.83(5) 2_655 . ?
B2D Ba32 Ba42 58.83(5) . . ?
B2D Ba32 Ba42 58.83(5) 4_665 . ?
B2C Ba32 Ba42 58.98(5) 5_655 . ?
B2C Ba32 Ba42 58.98(5) 6_665 . ?
B2C Ba32 Ba42 58.98(5) 3 . ?
B1BB Ba32 Ba11 63.08(3) 1_554 . ?
B1CC Ba32 Ba11 62.91(6) 2_655 . ?
B1CC Ba32 Ba11 151.07(9) 4_665 . ?
B1CC Ba32 Ba11 62.14(6) . . ?
B2D Ba32 Ba11 152.17(7) 2_655 . ?
B2D Ba32 Ba11 64.11(6) . . ?
B2D Ba32 Ba11 104.79(6) 4_665 . ?
B2C Ba32 Ba11 105.70(6) 5_655 . ?
B2C Ba32 Ba11 151.11(6) 6_665 . ?
B2C Ba32 Ba11 63.49(6) 3 . ?
Ba42 Ba32 Ba11 116.92(3) . . ?
B1CC Ba33 B1CC 119.808(13) . 4 ?
B1CC Ba33 B1CC 119.808(13) . 2 ?
B1CC Ba33 B1CC 119.808(13) 4 2 ?
B1CC Ba33 B2C 45.21(8) . . ?
B1CC Ba33 B2C 141.53(9) 4 . ?
B1CC Ba33 B2C 89.36(7) 2 . ?
B1CC Ba33 B2C 45.21(8) . 3 ?
B1CC Ba33 B2C 89.36(7) 4 3 ?
B1CC Ba33 B2C 141.53(9) 2 3 ?
B2C Ba33 B2C 54.64(11) . 3 ?
B1CC Ba33 B2C 141.53(9) . 6 ?
B1CC Ba33 B2C 45.21(8) 4 6 ?
B1CC Ba33 B2C 89.36(7) 2 6 ?
B2C Ba33 B2C 118.55(11) . 6 ?
B2C Ba33 B2C 96.32(7) 3 6 ?
B1CC Ba33 B2C 141.53(9) . 2 ?
B1CC Ba33 B2C 89.36(7) 4 2 ?
B1CC Ba33 B2C 45.21(8) 2 2 ?
B2C Ba33 B2C 96.32(7) . 2 ?
B2C Ba33 B2C 118.55(11) 3 2 ?
B2C Ba33 B2C 47.24(11) 6 2 ?
B1CC Ba33 B2C 89.36(7) . 5 ?
B1CC Ba33 B2C 141.53(9) 4 5 ?
B1CC Ba33 B2C 45.21(8) 2 5 ?
B2C Ba33 B2C 47.24(11) . 5 ?
B2C Ba33 B2C 96.32(7) 3 5 ?
B2C Ba33 B2C 96.32(7) 6 5 ?
B2C Ba33 B2C 54.64(11) 2 5 ?
B1CC Ba33 B2C 89.36(7) . 4 ?
B1CC Ba33 B2C 45.21(8) 4 4 ?
B1CC Ba33 B2C 141.53(9) 2 4 ?
B2C Ba33 B2C 96.32(7) . 4 ?
B2C Ba33 B2C 47.24(11) 3 4 ?
B2C Ba33 B2C 54.64(11) 6 4 ?
B2C Ba33 B2C 96.32(7) 2 4 ?
B2C Ba33 B2C 118.55(11) 5 4 ?
B1CC Ba33 B1AA 87.48(8) . 1_554 ?
B1CC Ba33 B1AA 87.48(8) 4 1_554 ?
B1CC Ba33 B1AA 87.48(8) 2 1_554 ?
B2C Ba33 B1AA 120.65(5) . 1_554 ?
B2C Ba33 B1AA 120.65(5) 3 1_554 ?
B2C Ba33 B1AA 120.65(5) 6 1_554 ?
B2C Ba33 B1AA 120.65(5) 2 1_554 ?
B2C Ba33 B1AA 120.65(5) 5 1_554 ?
B2C Ba33 B1AA 120.65(5) 4 1_554 ?
B1CC Ba33 Ba43 92.52(8) . . ?
B1CC Ba33 Ba43 92.52(8) 4 . ?
B1CC Ba33 Ba43 92.52(8) 2 . ?
B2C Ba33 Ba43 59.35(5) . . ?
B2C Ba33 Ba43 59.35(5) 3 . ?
B2C Ba33 Ba43 59.35(5) 6 . ?
B2C Ba33 Ba43 59.35(5) 2 . ?
B2C Ba33 Ba43 59.35(5) 5 . ?
B2C Ba33 Ba43 59.35(5) 4 . ?
B1AA Ba33 Ba43 180.0 1_554 . ?
B1CC Ba33 Ba11 149.74(9) . 4 ?
B1CC Ba33 Ba11 62.45(4) 4 4 ?
B1CC Ba33 Ba11 62.45(4) 2 4 ?
B2C Ba33 Ba11 151.80(6) . 4 ?
B2C Ba33 Ba11 151.80(6) 3 4 ?
B2C Ba33 Ba11 64.12(6) 6 4 ?
B2C Ba33 Ba11 64.12(6) 2 4 ?
B2C Ba33 Ba11 105.49(6) 5 4 ?
B2C Ba33 Ba11 105.49(6) 4 4 ?
B1AA Ba33 Ba11 62.26(3) 1_554 4 ?
Ba43 Ba33 Ba11 117.74(3) . 4 ?
B1A Ba41 B3B 110.29(12) 1_655 3_545 ?
B1A Ba41 B3B 110.29(12) 1_655 4_665 ?
B3B Ba41 B3B 56.43(9) 3_545 4_665 ?
B1A Ba41 B2B 135.54(12) 1_655 4_665 ?
B3B Ba41 B2B 113.90(8) 3_545 4_665 ?
B3B Ba41 B2B 90.47(6) 4_665 4_665 ?
B1A Ba41 B2B 135.54(12) 1_655 3_545 ?
B3B Ba41 B2B 90.47(7) 3_545 3_545 ?
B3B Ba41 B2B 113.90(8) 4_665 3_545 ?
B2B Ba41 B2B 49.65(13) 4_665 3_545 ?
B1A Ba41 B1B 120.783(18) 1_655 . ?
B3B Ba41 B1B 98.68(9) 3_545 . ?
B3B Ba41 B1B 48.95(10) 4_665 . ?
B2B Ba41 B1B 47.80(9) 4_665 . ?
B2B Ba41 B1B 92.61(8) 3_545 . ?
B1A Ba41 B1B 120.783(18) 1_655 3_545 ?
B3B Ba41 B1B 48.95(10) 3_545 3_545 ?
B3B Ba41 B1B 98.68(9) 4_665 3_545 ?
B2B Ba41 B1B 92.61(8) 4_665 3_545 ?
B2B Ba41 B1B 47.80(9) 3_545 3_545 ?
B1B Ba41 B1B 117.31(4) . 3_545 ?
B1A Ba41 B3C 78.51(14) 1_655 3 ?
B3B Ba41 B3C 43.55(6) 3_545 3 ?
B3B Ba41 B3C 43.55(6) 4_665 3 ?
B2B Ba41 B3C 133.76(7) 4_665 3 ?
B2B Ba41 B3C 133.76(7) 3_545 3 ?
B1B Ba41 B3C 90.62(10) . 3 ?
B1B Ba41 B3C 90.62(10) 3_545 3 ?
B1A Ba41 B2B 88.53(9) 1_655 . ?
B3B Ba41 B2B 146.01(7) 3_545 . ?
B3B Ba41 B2B 90.96(6) 4_665 . ?
B2B Ba41 B2B 51.02(13) 4_665 . ?
B2B Ba41 B2B 95.30(6) 3_545 . ?
B1B Ba41 B2B 47.70(9) . . ?
B1B Ba41 B2B 142.60(9) 3_545 . ?
B3C Ba41 B2B 119.72(5) 3 . ?
B1A Ba41 B2B 88.53(9) 1_655 6 ?
B3B Ba41 B2B 90.96(6) 3_545 6 ?
B3B Ba41 B2B 146.01(7) 4_665 6 ?
B2B Ba41 B2B 95.30(6) 4_665 6 ?
B2B Ba41 B2B 51.02(13) 3_545 6 ?
B1B Ba41 B2B 142.60(9) . 6 ?
B1B Ba41 B2B 47.70(9) 3_545 6 ?
B3C Ba41 B2B 119.72(5) 3 6 ?
B2B Ba41 B2B 118.43(10) . 6 ?
B1A Ba41 B2A 44.66(11) 1_655 2_655 ?
B3B Ba41 B2A 152.42(8) 3_545 2_655 ?
B3B Ba41 B2A 114.99(8) 4_665 2_655 ?
B2B Ba41 B2A 91.12(9) 4_665 2_655 ?
B2B Ba41 B2A 115.56(8) 3_545 2_655 ?
B1B Ba41 B2A 89.54(8) . 2_655 ?
B1B Ba41 B2A 146.09(10) 3_545 2_655 ?
B3C Ba41 B2A 110.58(8) 3 2_655 ?
B2B Ba41 B2A 45.82(10) . 2_655 ?
B2B Ba41 B2A 98.39(8) 6 2_655 ?
B1A Ba41 B2A 44.66(11) 1_655 4_655 ?
B3B Ba41 B2A 114.99(8) 3_545 4_655 ?
B3B Ba41 B2A 152.42(8) 4_665 4_655 ?
B2B Ba41 B2A 115.56(8) 4_665 4_655 ?
B2B Ba41 B2A 91.12(9) 3_545 4_655 ?
B1B Ba41 B2A 146.09(10) . 4_655 ?
B1B Ba41 B2A 89.54(8) 3_545 4_655 ?
B3C Ba41 B2A 110.58(8) 3 4_655 ?
B2B Ba41 B2A 98.39(8) . 4_655 ?
B2B Ba41 B2A 45.82(10) 6 4_655 ?
B2A Ba41 B2A 58.76(13) 2_655 4_655 ?
B1C Ba42 B1C 119.727(19) 2_655 4_665 ?
B1C Ba42 B1C 119.727(19) 2_655 . ?
B1C Ba42 B1C 119.727(18) 4_665 . ?
B1C Ba42 B2D 46.32(9) 2_655 . ?
B1C Ba42 B2D 141.50(10) 4_665 . ?
B1C Ba42 B2D 89.44(9) . . ?
B1C Ba42 B2D 89.44(9) 2_655 2_655 ?
B1C Ba42 B2D 46.32(9) 4_665 2_655 ?
B1C Ba42 B2D 141.50(10) . 2_655 ?
B2D Ba42 B2D 95.19(7) . 2_655 ?
B1C Ba42 B2D 141.50(10) 2_655 4_665 ?
B1C Ba42 B2D 89.44(9) 4_665 4_665 ?
B1C Ba42 B2D 46.32(9) . 4_665 ?
B2D Ba42 B2D 95.19(7) . 4_665 ?
B2D Ba42 B2D 95.19(7) 2_655 4_665 ?
B1C Ba42 B2C 45.97(10) 2_655 5_655 ?
B1C Ba42 B2C 89.98(8) 4_665 5_655 ?
B1C Ba42 B2C 141.06(11) . 5_655 ?
B2D Ba42 B2C 54.00(10) . 5_655 ?
B2D Ba42 B2C 46.86(10) 2_655 5_655 ?
B2D Ba42 B2C 116.79(9) 4_665 5_655 ?
B1C Ba42 B2C 89.98(8) 2_655 3 ?
B1C Ba42 B2C 141.06(10) 4_665 3 ?
B1C Ba42 B2C 45.97(10) . 3 ?
B2D Ba42 B2C 46.86(10) . 3 ?
B2D Ba42 B2C 116.79(9) 2_655 3 ?
B2D Ba42 B2C 54.00(11) 4_665 3 ?
B2C Ba42 B2C 95.09(7) 5_655 3 ?
B1C Ba42 B2C 141.06(11) 2_655 6_665 ?
B1C Ba42 B2C 45.97(10) 4_665 6_665 ?
B1C Ba42 B2C 89.98(8) . 6_665 ?
B2D Ba42 B2C 116.79(9) . 6_665 ?
B2D Ba42 B2C 54.00(10) 2_655 6_665 ?
B2D Ba42 B2C 46.86(10) 4_665 6_665 ?
B2C Ba42 B2C 95.09(7) 5_655 6_665 ?
B2C Ba42 B2C 95.09(7) 3 6_665 ?
B1C Ba42 B3B 61.28(11) 2_655 4_665 ?
B1C Ba42 B3B 100.30(11) 4_665 4_665 ?
B1C Ba42 B3B 99.21(10) . 4_665 ?
B2D Ba42 B3B 98.85(7) . 4_665 ?
B2D Ba42 B3B 117.63(7) 2_655 4_665 ?
B2D Ba42 B3B 142.62(7) 4_665 4_665 ?
B2C Ba42 B3B 99.36(7) 5_655 4_665 ?
B2C Ba42 B3B 116.77(6) 3 4_665 ?
B2C Ba42 B3B 143.33(7) 6_665 4_665 ?
B1C Ba42 B3B 99.21(10) 2_655 . ?
B1C Ba42 B3B 61.28(11) 4_665 . ?
B1C Ba42 B3B 100.30(11) . . ?
B2D Ba42 B3B 142.62(7) . . ?
B2D Ba42 B3B 98.85(7) 2_655 . ?
B2D Ba42 B3B 117.63(7) 4_665 . ?
B2C Ba42 B3B 116.77(6) 5_655 . ?
B2C Ba42 B3B 143.33(7) 3 . ?
B2C Ba42 B3B 99.36(7) 6_665 . ?
B3B Ba42 B3B 44.16(8) 4_665 . ?
B1C Ba42 B3B 100.30(11) 2_655 2_655 ?
B1C Ba42 B3B 99.21(10) 4_665 2_655 ?
B1C Ba42 B3B 61.28(11) . 2_655 ?
B2D Ba42 B3B 117.63(7) . 2_655 ?
B2D Ba42 B3B 142.62(7) 2_655 2_655 ?
B2D Ba42 B3B 98.85(7) 4_665 2_655 ?
B2C Ba42 B3B 143.33(7) 5_655 2_655 ?
B2C Ba42 B3B 99.36(7) 3 2_655 ?
B2C Ba42 B3B 116.77(6) 6_665 2_655 ?
B3B Ba42 B3B 44.16(8) 4_665 2_655 ?
B3B Ba42 B3B 44.16(8) . 2_655 ?
B1C Ba42 Ba32 93.01(10) 2_655 . ?
B1C Ba42 Ba32 93.01(10) 4_665 . ?
B1C Ba42 Ba32 93.01(10) . . ?
B2D Ba42 Ba32 58.50(5) . . ?
B2D Ba42 Ba32 58.50(5) 2_655 . ?
B2D Ba42 Ba32 58.50(5) 4_665 . ?
B2C Ba42 Ba32 58.43(5) 5_655 . ?
B2C Ba42 Ba32 58.43(5) 3 . ?
B2C Ba42 Ba32 58.43(5) 6_665 . ?
B3B Ba42 Ba32 154.28(5) 4_665 . ?
B3B Ba42 Ba32 154.28(5) . . ?
B3B Ba42 Ba32 154.28(5) 2_655 . ?
B1C Ba42 Ba22 60.24(5) 2_655 1_655 ?
B1C Ba42 Ba22 61.25(6) 4_665 1_655 ?
B1C Ba42 Ba22 157.74(10) . 1_655 ?
B2D Ba42 Ba22 101.52(7) . 1_655 ?
B2D Ba42 Ba22 57.44(6) 2_655 1_655 ?
B2D Ba42 Ba22 148.78(6) 4_665 1_655 ?
B2C Ba42 Ba22 57.29(5) 5_655 1_655 ?
B2C Ba42 Ba22 148.39(6) 3 1_655 ?
B2C Ba42 Ba22 101.92(6) 6_665 1_655 ?
B3B Ba42 Ba22 60.24(4) 4_665 1_655 ?
B3B Ba42 Ba22 59.52(4) . 1_655 ?
B3B Ba42 Ba22 96.48(6) 2_655 1_655 ?
Ba32 Ba42 Ba22 109.25(2) . 1_655 ?
B1C Ba42 Ba22 61.25(6) 2_655 3 ?
B1C Ba42 Ba22 157.74(10) 4_665 3 ?
B1C Ba42 Ba22 60.24(5) . 3 ?
B2D Ba42 Ba22 57.44(6) . 3 ?
B2D Ba42 Ba22 148.78(6) 2_655 3 ?
B2D Ba42 Ba22 101.52(7) 4_665 3 ?
B2C Ba42 Ba22 101.92(6) 5_655 3 ?
B2C Ba42 Ba22 57.29(5) 3 3 ?
B2C Ba42 Ba22 148.39(6) 6_665 3 ?
B3B Ba42 Ba22 59.52(4) 4_665 3 ?
B3B Ba42 Ba22 96.48(6) . 3 ?
B3B Ba42 Ba22 60.24(4) 2_655 3 ?
Ba32 Ba42 Ba22 109.25(2) . 3 ?
Ba22 Ba42 Ba22 109.70(2) 1_655 3 ?
B1C Ba42 Ba22 157.74(10) 2_655 2_665 ?
B1C Ba42 Ba22 60.24(5) 4_665 2_665 ?
B1C Ba42 Ba22 61.25(6) . 2_665 ?
B2D Ba42 Ba22 148.78(6) . 2_665 ?
B2D Ba42 Ba22 101.52(7) 2_655 2_665 ?
B2D Ba42 Ba22 57.44(6) 4_665 2_665 ?
B2C Ba42 Ba22 148.39(6) 5_655 2_665 ?
B2C Ba42 Ba22 101.92(6) 3 2_665 ?
B2C Ba42 Ba22 57.29(5) 6_665 2_665 ?
B3B Ba42 Ba22 96.48(6) 4_665 2_665 ?
B3B Ba42 Ba22 60.24(4) . 2_665 ?
B3B Ba42 Ba22 59.52(4) 2_655 2_665 ?
Ba32 Ba42 Ba22 109.25(2) . 2_665 ?
Ba22 Ba42 Ba22 109.70(2) 1_655 2_665 ?
Ba22 Ba42 Ba22 109.70(2) 3 2_665 ?
B1C Ba43 B1C 119.859(13) . 4 ?
B1C Ba43 B1C 119.859(13) . 2 ?
B1C Ba43 B1C 119.859(13) 4 2 ?
B1C Ba43 B2C 140.08(10) . 6 ?
B1C Ba43 B2C 46.08(9) 4 6 ?
B1C Ba43 B2C 89.27(8) 2 6 ?
B1C Ba43 B2C 140.08(10) . 2 ?
B1C Ba43 B2C 89.27(8) 4 2 ?
B1C Ba43 B2C 46.08(9) 2 2 ?
B2C Ba43 B2C 46.32(11) 6 2 ?
B1C Ba43 B2C 46.08(9) . 3 ?
B1C Ba43 B2C 89.27(8) 4 3 ?
B1C Ba43 B2C 140.08(10) 2 3 ?
B2C Ba43 B2C 94.00(7) 6 3 ?
B2C Ba43 B2C 115.09(10) 2 3 ?
B1C Ba43 B2C 89.27(8) . 5 ?
B1C Ba43 B2C 140.08(10) 4 5 ?
B1C Ba43 B2C 46.08(9) 2 5 ?
B2C Ba43 B2C 94.00(7) 6 5 ?
B2C Ba43 B2C 53.55(11) 2 5 ?
B2C Ba43 B2C 94.00(7) 3 5 ?
B1C Ba43 B2C 89.27(8) . 4 ?
B1C Ba43 B2C 46.08(9) 4 4 ?
B1C Ba43 B2C 140.08(10) 2 4 ?
B2C Ba43 B2C 53.55(11) 6 4 ?
B2C Ba43 B2C 94.00(7) 2 4 ?
B2C Ba43 B2C 46.32(11) 3 4 ?
B2C Ba43 B2C 115.09(10) 5 4 ?
B1C Ba43 B2C 46.08(9) . . ?
B1C Ba43 B2C 140.08(10) 4 . ?
B1C Ba43 B2C 89.27(8) 2 . ?
B2C Ba43 B2C 115.09(10) 6 . ?
B2C Ba43 B2C 94.00(7) 2 . ?
B2C Ba43 B2C 53.55(11) 3 . ?
B2C Ba43 B2C 46.32(11) 5 . ?
B2C Ba43 B2C 94.00(7) 4 . ?
B1C Ba43 B3A 87.84(10) . . ?
B1C Ba43 B3A 87.84(10) 4 . ?
B1C Ba43 B3A 87.84(10) 2 . ?
B2C Ba43 B3A 122.38(5) 6 . ?
B2C Ba43 B3A 122.38(5) 2 . ?
B2C Ba43 B3A 122.38(5) 3 . ?
B2C Ba43 B3A 122.38(5) 5 . ?
B2C Ba43 B3A 122.38(5) 4 . ?
B2C Ba43 B3A 122.38(5) . . ?
B1C Ba43 Ba22 60.95(3) . 3 ?
B1C Ba43 Ba22 60.95(3) 4 3 ?
B1C Ba43 Ba22 159.28(10) 2 3 ?
B2C Ba43 Ba22 101.64(6) 6 3 ?
B2C Ba43 Ba22 147.95(6) 2 3 ?
B2C Ba43 Ba22 57.45(5) 3 3 ?
B2C Ba43 Ba22 147.95(6) 5 3 ?
B2C Ba43 Ba22 57.45(5) 4 3 ?
B2C Ba43 Ba22 101.64(6) . 3 ?
B3A Ba43 Ba22 71.44(3) . 3 ?
B1C Ba43 Ba22 60.95(3) . . ?
B1C Ba43 Ba22 159.28(10) 4 . ?
B1C Ba43 Ba22 60.95(3) 2 . ?
B2C Ba43 Ba22 147.95(6) 6 . ?
B2C Ba43 Ba22 101.64(6) 2 . ?
B2C Ba43 Ba22 101.64(6) 3 . ?
B2C Ba43 Ba22 57.45(5) 5 . ?
B2C Ba43 Ba22 147.95(6) 4 . ?
B2C Ba43 Ba22 57.45(5) . . ?
B3A Ba43 Ba22 71.44(3) . . ?
Ba22 Ba43 Ba22 110.37(2) 3 . ?
B2A B1A B2A 82.2(2) 2 . ?
B2A B1A B2A 82.2(2) 2 4 ?
B2A B1A B2A 82.2(2) . 4 ?
B2A B1A B3A 130.64(15) 2 . ?
B2A B1A B3A 130.64(15) . . ?
B2A B1A B3A 130.64(15) 4 . ?
B2A B1A Ba41 70.30(6) 2 4_665 ?
B2A B1A Ba41 70.30(6) . 4_665 ?
B2A B1A Ba41 143.0(3) 4 4_665 ?
B3A B1A Ba41 86.34(13) . 4_665 ?
B2A B1A Ba41 143.0(3) 2 2_545 ?
B2A B1A Ba41 70.30(6) . 2_545 ?
B2A B1A Ba41 70.30(6) 4 2_545 ?
B3A B1A Ba41 86.34(13) . 2_545 ?
Ba41 B1A Ba41 119.60(3) 4_665 2_545 ?
B2A B1A Ba41 70.30(6) 2 1_455 ?
B2A B1A Ba41 143.0(3) . 1_455 ?
B2A B1A Ba41 70.30(6) 4 1_455 ?
B3A B1A Ba41 86.34(13) . 1_455 ?
Ba41 B1A Ba41 119.60(3) 4_665 1_455 ?
Ba41 B1A Ba41 119.60(3) 2_545 1_455 ?
B2A B1A Ba21 127.31(6) 2 4 ?
B2A B1A Ba21 127.31(6) . 4 ?
B2A B1A Ba21 63.95(9) 4 4 ?
B3A B1A Ba21 66.69(11) . 4 ?
Ba41 B1A Ba21 153.0(2) 4_665 4 ?
Ba41 B1A Ba21 61.08(4) 2_545 4 ?
Ba41 B1A Ba21 61.08(4) 1_455 4 ?
B2A B1A Ba21 63.95(9) 2 2 ?
B2A B1A Ba21 127.31(6) . 2 ?
B2A B1A Ba21 127.31(6) 4 2 ?
B3A B1A Ba21 66.69(11) . 2 ?
Ba41 B1A Ba21 61.08(4) 4_665 2 ?
Ba41 B1A Ba21 153.0(2) 2_545 2 ?
Ba41 B1A Ba21 61.08(4) 1_455 2 ?
Ba21 B1A Ba21 105.37(13) 4 2 ?
B2A B1A Ba21 127.31(6) 2 . ?
B2A B1A Ba21 63.95(9) . . ?
B2A B1A Ba21 127.31(6) 4 . ?
B3A B1A Ba21 66.69(11) . . ?
Ba41 B1A Ba21 61.08(4) 4_665 . ?
Ba41 B1A Ba21 61.08(4) 2_545 . ?
Ba41 B1A Ba21 153.0(2) 1_455 . ?
Ba21 B1A Ba21 105.37(13) 4 . ?
Ba21 B1A Ba21 105.37(13) 2 . ?
B2B B1B B2B 64.32(16) . 4_665 ?
B2B B1B B2B 64.32(16) . 2_655 ?
B2B B1B B2B 64.32(16) 4_665 2_655 ?
B2B B1B B3B 120.92(7) . 4_665 ?
B2B B1B B3B 119.65(7) 4_665 4_665 ?
B2B B1B B3B 174.14(17) 2_655 4_665 ?
B2B B1B B3B 119.65(7) . . ?
B2B B1B B3B 174.14(17) 4_665 . ?
B2B B1B B3B 120.92(7) 2_655 . ?
B3B B1B B3B 54.91(15) 4_665 . ?
B2B B1B B3B 174.14(17) . 2_655 ?
B2B B1B B3B 120.92(7) 4_665 2_655 ?
B2B B1B B3B 119.65(7) 2_655 2_655 ?
B3B B1B B3B 54.91(15) 4_665 2_655 ?
B3B B1B B3B 54.91(15) . 2_655 ?
B2B B1B Ba41 66.33(8) . . ?
B2B B1B Ba41 66.02(7) 4_665 . ?
B2B B1B Ba41 120.71(17) 2_655 . ?
B3B B1B Ba41 65.06(8) 4_665 . ?
B3B B1B Ba41 110.92(11) . . ?
B3B B1B Ba41 112.55(11) 2_655 . ?
B2B B1B Ba41 66.02(7) . 2_655 ?
B2B B1B Ba41 120.71(17) 4_665 2_655 ?
B2B B1B Ba41 66.33(8) 2_655 2_655 ?
B3B B1B Ba41 112.55(11) 4_665 2_655 ?
B3B B1B Ba41 65.06(8) . 2_655 ?
B3B B1B Ba41 110.92(11) 2_655 2_655 ?
Ba41 B1B Ba41 118.45(4) . 2_655 ?
B2B B1B Ba41 120.71(17) . 4_665 ?
B2B B1B Ba41 66.33(8) 4_665 4_665 ?
B2B B1B Ba41 66.02(7) 2_655 4_665 ?
B3B B1B Ba41 110.92(11) 4_665 4_665 ?
B3B B1B Ba41 112.55(11) . 4_665 ?
B3B B1B Ba41 65.06(8) 2_655 4_665 ?
Ba41 B1B Ba41 118.45(4) . 4_665 ?
Ba41 B1B Ba41 118.45(4) 2_655 4_665 ?
B2B B1B Ba21 64.68(8) . 2_655 ?
B2B B1B Ba21 116.71(10) 4_665 2_655 ?
B2B B1B Ba21 119.55(10) 2_655 2_655 ?
B3B B1B Ba21 63.40(8) 4_665 2_655 ?
B3B B1B Ba21 63.88(8) . 2_655 ?
B3B B1B Ba21 109.59(16) 2_655 2_655 ?
Ba41 B1B Ba21 60.811(14) . 2_655 ?
Ba41 B1B Ba21 64.833(13) 2_655 2_655 ?
Ba41 B1B Ba21 174.25(17) 4_665 2_655 ?
B2B B1B Ba21 119.55(10) . . ?
B2B B1B Ba21 64.68(9) 4_665 . ?
B2B B1B Ba21 116.71(10) 2_655 . ?
B3B B1B Ba21 63.88(8) 4_665 . ?
B3B B1B Ba21 109.59(16) . . ?
B3B B1B Ba21 63.40(8) 2_655 . ?
Ba41 B1B Ba21 64.833(13) . . ?
Ba41 B1B Ba21 174.25(17) 2_655 . ?
Ba41 B1B Ba21 60.811(15) 4_665 . ?
Ba21 B1B Ba21 115.40(6) 2_655 . ?
B2B B1B Ba21 116.71(10) . 4_665 ?
B2B B1B Ba21 119.55(10) 4_665 4_665 ?
B2B B1B Ba21 64.68(8) 2_655 4_665 ?
B3B B1B Ba21 109.59(16) 4_665 4_665 ?
B3B B1B Ba21 63.40(8) . 4_665 ?
B3B B1B Ba21 63.88(8) 2_655 4_665 ?
Ba41 B1B Ba21 174.25(17) . 4_665 ?
Ba41 B1B Ba21 60.811(15) 2_655 4_665 ?
Ba41 B1B Ba21 64.833(13) 4_665 4_665 ?
Ba21 B1B Ba21 115.40(6) 2_655 4_665 ?
Ba21 B1B Ba21 115.40(6) . 4_665 ?
B3C B1C B2C 125.49(12) 2_665 3 ?
B3C B1C B2C 125.49(12) 2_665 . ?
B2C B1C B2C 71.47(18) 3 . ?
B3C B1C B2D 157.6(2) 2_665 4_665 ?
B2C B1C B2D 71.30(16) 3 4_665 ?
B2C B1C B2D 71.30(16) . 4_665 ?
B3C B1C Ba43 71.81(11) 2_665 . ?
B2C B1C Ba43 69.04(10) 3 . ?
B2C B1C Ba43 69.04(10) . . ?
B2D B1C Ba43 130.6(2) 4_665 . ?
B3C B1C Ba42 102.98(12) 2_665 . ?
B2C B1C Ba42 67.94(8) 3 . ?
B2C B1C Ba42 129.12(19) . . ?
B2D B1C Ba42 67.60(7) 4_665 . ?
Ba43 B1C Ba42 120.16(5) . . ?
B3C B1C Ba42 102.98(12) 2_665 3 ?
B2C B1C Ba42 129.12(19) 3 3 ?
B2C B1C Ba42 67.94(8) . 3 ?
B2D B1C Ba42 67.60(7) 4_665 3 ?
Ba43 B1C Ba42 120.16(5) . 3 ?
Ba42 B1C Ba42 119.01(9) . 3 ?
B3C B1C B3B 46.22(11) 2_665 6_565 ?
B2C B1C B3B 170.40(16) 3 6_565 ?
B2C B1C B3B 116.70(8) . 6_565 ?
B2D B1C B3B 115.31(12) 4_665 6_565 ?
Ba43 B1C B3B 108.25(12) . 6_565 ?
Ba42 B1C B3B 107.34(13) . 6_565 ?
Ba42 B1C B3B 60.40(8) 3 6_565 ?
B3C B1C B3B 46.22(11) 2_665 2_655 ?
B2C B1C B3B 116.70(8) 3 2_655 ?
B2C B1C B3B 170.40(16) . 2_655 ?
B2D B1C B3B 115.31(12) 4_665 2_655 ?
Ba43 B1C B3B 108.25(12) . 2_655 ?
Ba42 B1C B3B 60.40(8) . 2_655 ?
Ba42 B1C B3B 107.34(13) 3 2_655 ?
B3B B1C B3B 54.71(13) 6_565 2_655 ?
B3C B1C Ba22 64.27(8) 2_665 3 ?
B2C B1C Ba22 64.50(8) 3 3 ?
B2C B1C Ba22 122.72(14) . 3 ?
B2D B1C Ba22 122.25(8) 4_665 3 ?
Ba43 B1C Ba22 62.26(5) . 3 ?
Ba42 B1C Ba22 62.564(19) . 3 ?
Ba42 B1C Ba22 166.4(2) 3 3 ?
B3B B1C Ba22 105.97(15) 6_565 3 ?
B3B B1C Ba22 60.73(8) 2_655 3 ?
B3C B1C Ba22 64.27(8) 2_665 . ?
B2C B1C Ba22 122.72(14) 3 . ?
B2C B1C Ba22 64.50(8) . . ?
B2D B1C Ba22 122.25(8) 4_665 . ?
Ba43 B1C Ba22 62.26(5) . . ?
Ba42 B1C Ba22 166.4(2) . . ?
Ba42 B1C Ba22 62.564(19) 3 . ?
B3B B1C Ba22 60.73(8) 6_565 . ?
B3B B1C Ba22 105.97(15) 2_655 . ?
Ba22 B1C Ba22 112.46(10) 3 . ?
B3C B1C Ba22 93.97(17) 2_665 2_665 ?
B2C B1C Ba22 121.72(11) 3 2_665 ?
B2C B1C Ba22 121.72(11) . 2_665 ?
B2D B1C Ba22 63.63(10) 4_665 2_665 ?
Ba43 B1C Ba22 165.78(19) . 2_665 ?
Ba42 B1C Ba22 62.00(5) . 2_665 ?
Ba42 B1C Ba22 62.00(5) 3 2_665 ?
B3B B1C Ba22 59.49(9) 6_565 2_665 ?
B3B B1C Ba22 59.49(9) 2_655 2_665 ?
Ba22 B1C Ba22 112.12(10) 3 2_665 ?
Ba22 B1C Ba22 112.12(10) . 2_665 ?
B2A B1AA B2A 80.2(2) 4 2 ?
B2A B1AA B2A 80.2(2) 4 . ?
B2A B1AA B2A 80.2(2) 2 . ?
B2A B1AA Ba31 136.0(3) 4 4_665 ?
B2A B1AA Ba31 66.66(6) 2 4_665 ?
B2A B1AA Ba31 66.66(6) . 4_665 ?
B2A B1AA Ba31 66.66(6) 4 2_545 ?
B2A B1AA Ba31 136.0(3) 2 2_545 ?
B2A B1AA Ba31 66.66(6) . 2_545 ?
Ba31 B1AA Ba31 119.868(16) 4_665 2_545 ?
B2A B1AA Ba31 66.66(6) 4 1_455 ?
B2A B1AA Ba31 66.66(6) 2 1_455 ?
B2A B1AA Ba31 136.0(3) . 1_455 ?
Ba31 B1AA Ba31 119.868(16) 4_665 1_455 ?
Ba31 B1AA Ba31 119.868(16) 2_545 1_455 ?
B2A B1AA Ba33 131.92(15) 4 1_556 ?
B2A B1AA Ba33 131.92(15) 2 1_556 ?
B2A B1AA Ba33 131.92(15) . 1_556 ?
Ba31 B1AA Ba33 92.09(12) 4_665 1_556 ?
Ba31 B1AA Ba33 92.09(12) 2_545 1_556 ?
Ba31 B1AA Ba33 92.09(12) 1_455 1_556 ?
B2A B1AA Ba11 129.06(6) 4 2_556 ?
B2A B1AA Ba11 68.30(10) 2 2_556 ?
B2A B1AA Ba11 129.06(6) . 2_556 ?
Ba31 B1AA Ba11 64.44(4) 4_665 2_556 ?
Ba31 B1AA Ba11 155.7(2) 2_545 2_556 ?
Ba31 B1AA Ba11 64.44(4) 1_455 2_556 ?
Ba33 B1AA Ba11 63.62(11) 1_556 2_556 ?
B2A B1AA Ba11 129.06(6) 4 1_556 ?
B2A B1AA Ba11 129.06(6) 2 1_556 ?
B2A B1AA Ba11 68.30(10) . 1_556 ?
Ba31 B1AA Ba11 64.44(4) 4_665 1_556 ?
Ba31 B1AA Ba11 64.44(4) 2_545 1_556 ?
Ba31 B1AA Ba11 155.7(2) 1_455 1_556 ?
Ba33 B1AA Ba11 63.62(11) 1_556 1_556 ?
Ba11 B1AA Ba11 101.76(13) 2_556 1_556 ?
B2A B1AA Ba11 68.30(10) 4 4_556 ?
B2A B1AA Ba11 129.06(6) 2 4_556 ?
B2A B1AA Ba11 129.06(6) . 4_556 ?
Ba31 B1AA Ba11 155.7(2) 4_665 4_556 ?
Ba31 B1AA Ba11 64.44(4) 2_545 4_556 ?
Ba31 B1AA Ba11 64.44(4) 1_455 4_556 ?
Ba33 B1AA Ba11 63.62(11) 1_556 4_556 ?
Ba11 B1AA Ba11 101.76(13) 2_556 4_556 ?
Ba11 B1AA Ba11 101.76(13) 1_556 4_556 ?
B2B B1BB B2B 69.27(17) . 4_665 ?
B2B B1BB B2B 69.27(17) . 2_655 ?
B2B B1BB B2B 69.27(17) 4_665 2_655 ?
B2B B1BB Ba32 138.99(11) . 1_556 ?
B2B B1BB Ba32 138.99(11) 4_665 1_556 ?
B2B B1BB Ba32 138.99(11) 2_655 1_556 ?
B2B B1BB Ba31 69.19(7) . . ?
B2B B1BB Ba31 67.84(7) 4_665 . ?
B2B B1BB Ba31 128.07(19) 2_655 . ?
Ba32 B1BB Ba31 92.94(9) 1_556 . ?
B2B B1BB Ba31 67.84(7) . 2_655 ?
B2B B1BB Ba31 128.07(19) 4_665 2_655 ?
B2B B1BB Ba31 69.19(8) 2_655 2_655 ?
Ba32 B1BB Ba31 92.94(9) 1_556 2_655 ?
Ba31 B1BB Ba31 119.740(16) . 2_655 ?
B2B B1BB Ba31 128.07(19) . 4_665 ?
B2B B1BB Ba31 69.19(7) 4_665 4_665 ?
B2B B1BB Ba31 67.84(7) 2_655 4_665 ?
Ba32 B1BB Ba31 92.94(9) 1_556 4_665 ?
Ba31 B1BB Ba31 119.740(16) . 4_665 ?
Ba31 B1BB Ba31 119.740(16) 2_655 4_665 ?
B2B B1BB Ba11 74.31(8) . 2_656 ?
B2B B1BB Ba11 127.32(8) 4_665 2_656 ?
B2B B1BB Ba11 129.20(8) 2_655 2_656 ?
Ba32 B1BB Ba11 64.69(8) 1_556 2_656 ?
Ba31 B1BB Ba11 64.28(3) . 2_656 ?
Ba31 B1BB Ba11 64.85(3) 2_655 2_656 ?
Ba31 B1BB Ba11 157.62(17) 4_665 2_656 ?
B2B B1BB Ba11 129.20(8) . 1_556 ?
B2B B1BB Ba11 74.31(9) 4_665 1_556 ?
B2B B1BB Ba11 127.32(8) 2_655 1_556 ?
Ba32 B1BB Ba11 64.69(8) 1_556 1_556 ?
Ba31 B1BB Ba11 64.85(3) . 1_556 ?
Ba31 B1BB Ba11 157.62(17) 2_655 1_556 ?
Ba31 B1BB Ba11 64.28(3) 4_665 1_556 ?
Ba11 B1BB Ba11 103.05(9) 2_656 1_556 ?
B2B B1BB Ba11 127.32(8) . 4_666 ?
B2B B1BB Ba11 129.20(8) 4_665 4_666 ?
B2B B1BB Ba11 74.31(8) 2_655 4_666 ?
Ba32 B1BB Ba11 64.69(8) 1_556 4_666 ?
Ba31 B1BB Ba11 157.62(17) . 4_666 ?
Ba31 B1BB Ba11 64.28(3) 2_655 4_666 ?
Ba31 B1BB Ba11 64.85(3) 4_665 4_666 ?
Ba11 B1BB Ba11 103.05(9) 2_656 4_666 ?
Ba11 B1BB Ba11 103.05(9) 1_556 4_666 ?
B2D B1CC B2C 73.60(16) 4_665 . ?
B2D B1CC B2C 73.60(16) 4_665 3 ?
B2C B1CC B2C 73.41(18) . 3 ?
B2D B1CC Ba32 68.42(7) 4_665 3 ?
B2C B1CC Ba32 68.36(7) . 3 ?
B2C B1CC Ba32 131.85(17) 3 3 ?
B2D B1CC Ba32 68.42(7) 4_665 . ?
B2C B1CC Ba32 131.85(17) . . ?
B2C B1CC Ba32 68.36(7) 3 . ?
Ba32 B1CC Ba32 120.14(9) 3 . ?
B2D B1CC Ba31 136.41(15) 4_665 4_664 ?
B2C B1CC Ba31 136.21(11) . 4_664 ?
B2C B1CC Ba31 136.21(11) 3 4_664 ?
Ba32 B1CC Ba31 91.94(9) 3 4_664 ?
Ba32 B1CC Ba31 91.94(9) . 4_664 ?
B2D B1CC Ba33 130.93(18) 4_665 . ?
B2C B1CC Ba33 67.55(9) . . ?
B2C B1CC Ba33 67.55(9) 3 . ?
Ba32 B1CC Ba33 119.72(4) 3 . ?
Ba32 B1CC Ba33 119.72(4) . . ?
Ba31 B1CC Ba33 92.65(10) 4_664 . ?
B2D B1CC Ba11 129.04(6) 4_665 2 ?
B2C B1CC Ba11 71.68(8) . 2 ?
B2C B1CC Ba11 127.81(12) 3 2 ?
Ba32 B1CC Ba11 64.67(3) 3 2 ?
Ba32 B1CC Ba11 156.45(15) . 2 ?
Ba31 B1CC Ba11 64.53(7) 4_664 2 ?
Ba33 B1CC Ba11 63.81(5) . 2 ?
B2D B1CC Ba11 129.04(6) 4_665 . ?
B2C B1CC Ba11 127.81(12) . . ?
B2C B1CC Ba11 71.68(8) 3 . ?
Ba32 B1CC Ba11 156.45(15) 3 . ?
Ba32 B1CC Ba11 64.67(3) . . ?
Ba31 B1CC Ba11 64.53(7) 4_664 . ?
Ba33 B1CC Ba11 63.81(5) . . ?
Ba11 B1CC Ba11 101.75(10) 2 . ?
B1A B2A B1AA 82.6(2) . . ?
B1A B2A B2B 127.25(16) . 4_665 ?
B1AA B2A B2B 131.58(15) . 4_665 ?
B1A B2A B2B 127.25(16) . 3_545 ?
B1AA B2A B2B 131.58(15) . 3_545 ?
B2B B2A B2B 64.56(12) 4_665 3_545 ?
B1A B2A Ba21 72.17(15) . . ?
B1AA B2A Ba21 154.73(19) . . ?
B2B B2A Ba21 67.87(10) 4_665 . ?
B2B B2A Ba21 67.87(10) 3_545 . ?
B1A B2A Ba31 104.83(10) . 4_665 ?
B1AA B2A Ba31 67.39(8) . 4_665 ?
B2B B2A Ba31 68.22(7) 4_665 4_665 ?
B2B B2A Ba31 123.94(13) 3_545 4_665 ?
Ba21 B2A Ba31 118.64(6) . 4_665 ?
B1A B2A Ba31 104.83(10) . 2_545 ?
B1AA B2A Ba31 67.39(8) . 2_545 ?
B2B B2A Ba31 123.94(13) 4_665 2_545 ?
B2B B2A Ba31 68.22(7) 3_545 2_545 ?
Ba21 B2A Ba31 118.64(6) . 2_545 ?
Ba31 B2A Ba31 120.95(13) 4_665 2_545 ?
B1A B2A Ba41 65.04(8) . 2_545 ?
B1AA B2A Ba41 107.57(10) . 2_545 ?
B2B B2A Ba41 119.18(12) 4_665 2_545 ?
B2B B2A Ba41 66.34(7) 3_545 2_545 ?
Ba21 B2A Ba41 61.87(6) . 2_545 ?
Ba31 B2A Ba41 169.61(13) 4_665 2_545 ?
Ba31 B2A Ba41 62.31(2) 2_545 2_545 ?
B1A B2A Ba41 65.04(8) . 4_665 ?
B1AA B2A Ba41 107.57(10) . 4_665 ?
B2B B2A Ba41 66.34(7) 4_665 4_665 ?
B2B B2A Ba41 119.18(12) 3_545 4_665 ?
Ba21 B2A Ba41 61.87(6) . 4_665 ?
Ba31 B2A Ba41 62.31(2) 4_665 4_665 ?
Ba31 B2A Ba41 169.61(13) 2_545 4_665 ?
Ba41 B2A Ba41 112.66(12) 2_545 4_665 ?
B1A B2A Ba11 152.47(19) . 1_556 ?
B1AA B2A Ba11 69.91(15) . 1_556 ?
B2B B2A Ba11 74.70(11) 4_665 1_556 ?
B2B B2A Ba11 74.70(11) 3_545 1_556 ?
Ba21 B2A Ba11 135.35(12) . 1_556 ?
Ba31 B2A Ba11 65.06(7) 4_665 1_556 ?
Ba31 B2A Ba11 65.06(7) 2_545 1_556 ?
Ba41 B2A Ba11 122.71(6) 2_545 1_556 ?
Ba41 B2A Ba11 122.71(6) 4_665 1_556 ?
B1BB B2B B2A 122.36(15) . 2_655 ?
B1BB B2B B1B 101.06(16) . . ?
B2A B2B B1B 125.56(15) 2_655 . ?
B1BB B2B B2B 124.97(9) . 5_765 ?
B2A B2B B2B 57.72(6) 2_655 5_765 ?
B1B B2B B2B 122.47(8) . 5_765 ?
B1BB B2B B2B 55.37(9) . 4_665 ?
B2A B2B B2B 121.42(12) 2_655 4_665 ?
B1B B2B B2B 57.84(8) . 4_665 ?
B2B B2B B2B 179.14(8) 5_765 4_665 ?
B1BB B2B B2B 55.37(9) . 2_655 ?
B2A B2B B2B 176.59(11) 2_655 2_655 ?
B1B B2B B2B 57.84(8) . 2_655 ?
B2B B2B B2B 120.86(8) 5_765 2_655 ?
B2B B2B B2B 60.0 4_665 2_655 ?
B1BB B2B Ba31 67.02(8) . 2_655 ?
B2A B2B Ba31 111.58(12) 2_655 2_655 ?
B1B B2B Ba31 114.96(10) . 2_655 ?
B2B B2B Ba31 64.97(6) 5_765 2_655 ?
B2B B2B Ba31 115.73(9) 4_665 2_655 ?
B2B B2B Ba31 65.43(10) 2_655 2_655 ?
B1BB B2B Ba41 112.91(11) . 2_655 ?
B2A B2B Ba41 115.76(11) 2_655 2_655 ?
B1B B2B Ba41 66.18(6) . 2_655 ?
B2B B2B Ba41 65.18(6) 5_765 2_655 ?
B2B B2B Ba41 115.53(9) 4_665 2_655 ?
B2B B2B Ba41 64.73(10) 2_655 2_655 ?
Ba31 B2B Ba41 62.70(4) 2_655 2_655 ?
B1BB B2B Ba21 169.00(15) . 2_655 ?
B2A B2B Ba21 65.43(10) 2_655 2_655 ?
B1B B2B Ba21 68.23(9) . 2_655 ?
B2B B2B Ba21 65.19(5) 5_765 2_655 ?
B2B B2B Ba21 114.54(6) 4_665 2_655 ?
B2B B2B Ba21 117.22(7) 2_655 2_655 ?
Ba31 B2B Ba21 119.00(8) 2_655 2_655 ?
Ba41 B2B Ba21 65.89(6) 2_655 2_655 ?
B1BB B2B Ba41 112.48(9) . . ?
B2A B2B Ba41 67.85(9) 2_655 . ?
B1B B2B Ba41 65.97(6) . . ?
B2B B2B Ba41 115.05(6) 5_765 . ?
B2B B2B Ba41 64.24(8) 4_665 . ?
B2B B2B Ba41 115.12(7) 2_655 . ?
Ba31 B2B Ba41 178.97(11) 2_655 . ?
Ba41 B2B Ba41 118.30(9) 2_655 . ?
Ba21 B2B Ba41 61.65(6) 2_655 . ?
B1BB B2B Ba31 66.08(7) . . ?
B2A B2B Ba31 65.41(8) 2_655 . ?
B1B B2B Ba31 113.26(8) . . ?
B2B B2B Ba31 115.83(6) 5_765 . ?
B2B B2B Ba31 63.46(8) 4_665 . ?
B2B B2B Ba31 114.10(8) 2_655 . ?
Ba31 B2B Ba31 117.02(10) 2_655 . ?
Ba41 B2B Ba31 178.83(13) 2_655 . ?
Ba21 B2B Ba31 114.97(9) 2_655 . ?
Ba41 B2B Ba31 61.99(4) . . ?
B1BB B2B Ba11 66.39(11) . 2_656 ?
B2A B2B Ba11 64.24(11) 2_655 2_656 ?
B1B B2B Ba11 167.39(14) . 2_656 ?
B2B B2B Ba11 68.67(5) 5_765 2_656 ?
B2B B2B Ba11 111.12(5) 4_665 2_656 ?
B2B B2B Ba11 112.44(7) 2_655 2_656 ?
Ba31 B2B Ba11 62.49(6) 2_655 2_656 ?
Ba41 B2B Ba11 118.79(7) 2_655 2_656 ?
Ba21 B2B Ba11 124.24(11) 2_655 2_656 ?
Ba41 B2B Ba11 116.51(8) . 2_656 ?
Ba31 B2B Ba11 61.52(5) . 2_656 ?
B1CC B2C B1C 94.02(15) . . ?
B1CC B2C B2C 127.04(10) . 5 ?
B1C B2C B2C 125.30(10) . 5 ?
B1CC B2C B2D 126.79(12) . 2 ?
B1C B2C B2D 125.53(12) . 2 ?
B2C B2C B2D 60.13(6) 5 2 ?
B1CC B2C B2C 53.30(9) . 3 ?
B1C B2C B2C 54.27(9) . 3 ?
B2C B2C B2C 120.000(1) 5 3 ?
B2D B2C B2C 179.79(7) 2 3 ?
B1CC B2C B2D 53.10(11) . 4_665 ?
B1C B2C B2D 54.59(10) . 4_665 ?
B2C B2C B2D 179.85(6) 5 4_665 ?
B2D B2C B2D 119.83(9) 2 4_665 ?
B2C B2C B2D 60.03(5) 3 4_665 ?
B1CC B2C Ba22 163.87(15) . . ?
B1C B2C Ba22 69.86(10) . . ?
B2C B2C Ba22 66.18(5) 5 . ?
B2D B2C Ba22 66.17(8) 2 . ?
B2C B2C Ba22 113.70(6) 3 . ?
B2D B2C Ba22 113.68(8) 4_665 . ?
B1CC B2C Ba33 67.24(9) . . ?
B1C B2C Ba33 110.50(11) . . ?
B2C B2C Ba33 66.38(6) 5 . ?
B2D B2C Ba33 117.52(9) 2 . ?
B2C B2C Ba33 62.68(6) 3 . ?
B2D B2C Ba33 113.73(8) 4_665 . ?
Ba22 B2C Ba33 117.73(8) . . ?
B1CC B2C Ba32 66.50(8) . 3 ?
B1C B2C Ba32 111.41(11) . 3 ?
B2C B2C Ba32 117.20(6) 5 3 ?
B2D B2C Ba32 66.45(8) 2 3 ?
B2C B2C Ba32 113.53(6) 3 3 ?
B2D B2C Ba32 62.86(7) 4_665 3 ?
Ba22 B2C Ba32 118.25(8) . 3 ?
Ba33 B2C Ba32 118.19(9) . 3 ?
B1CC B2C Ba42 110.52(11) . 3 ?
B1C B2C Ba42 66.09(8) . 3 ?
B2C B2C Ba42 117.03(5) 5 3 ?
B2D B2C Ba42 66.41(8) 2 3 ?
B2C B2C Ba42 113.39(6) 3 3 ?
B2D B2C Ba42 62.86(7) 4_665 3 ?
Ba22 B2C Ba42 63.49(5) . 3 ?
Ba33 B2C Ba42 176.06(11) . 3 ?
Ba32 B2C Ba42 62.59(5) 3 3 ?
B1CC B2C Ba43 111.55(11) . . ?
B1C B2C Ba43 64.88(9) . . ?
B2C B2C Ba43 66.84(5) 5 . ?
B2D B2C Ba43 116.78(9) 2 . ?
B2C B2C Ba43 63.22(6) 3 . ?
B2D B2C Ba43 113.10(8) 4_665 . ?
Ba22 B2C Ba43 62.59(5) . . ?
Ba33 B2C Ba43 63.04(5) . . ?
Ba32 B2C Ba43 175.96(11) 3 . ?
Ba42 B2C Ba43 115.90(8) 3 . ?
B1CC B2C Ba11 67.89(10) . 2 ?
B1C B2C Ba11 161.88(13) . 2 ?
B2C B2C Ba11 69.12(5) 5 2 ?
B2D B2C Ba11 69.78(8) 2 2 ?
B2C B2C Ba11 110.42(5) 3 2 ?
B2D B2C Ba11 111.02(8) 4_665 2 ?
Ba22 B2C Ba11 128.24(10) . 2 ?
Ba33 B2C Ba11 62.71(5) . 2 ?
Ba32 B2C Ba11 63.23(5) 3 2 ?
Ba42 B2C Ba11 119.88(8) 3 2 ?
Ba43 B2C Ba11 119.74(8) . 2 ?
B1CC B2D B1C 93.80(18) 2_655 2_655 ?
B1CC B2D B2C 126.47(12) 2_655 4 ?
B1C B2D B2C 126.21(13) 2_655 4 ?
B1CC B2D B2C 126.47(12) 2_655 3 ?
B1C B2D B2C 126.21(13) 2_655 3 ?
B2C B2D B2C 59.73(11) 4 3 ?
B1CC B2D B2C 53.30(10) 2_655 5_655 ?
B1C B2D B2C 54.12(11) 2_655 5_655 ?
B2C B2D B2C 179.67(12) 4 5_655 ?
B2C B2D B2C 120.16(9) 3 5_655 ?
B1CC B2D B2C 53.30(10) 2_655 2_655 ?
B1C B2D B2C 54.12(11) 2_655 2_655 ?
B2C B2D B2C 120.16(9) 4 2_655 ?
B2C B2D B2C 179.67(12) 3 2_655 ?
B2C B2D B2C 59.94(11) 5_655 2_655 ?
B1CC B2D Ba22 164.70(17) 2_655 3 ?
B1C B2D Ba22 70.90(13) 2_655 3 ?
B2C B2D Ba22 66.01(8) 4 3 ?
B2C B2D Ba22 66.01(8) 3 3 ?
B2C B2D Ba22 114.26(9) 5_655 3 ?
B2C B2D Ba22 114.26(9) 2_655 3 ?
B1CC B2D Ba32 66.56(7) 2_655 3_545 ?
B1C B2D Ba32 111.00(9) 2_655 3_545 ?
B2C B2D Ba32 66.45(7) 4 3_545 ?
B2C B2D Ba32 116.87(10) 3 3_545 ?
B2C B2D Ba32 113.46(10) 5_655 3_545 ?
B2C B2D Ba32 62.86(7) 2_655 3_545 ?
Ba22 B2D Ba32 118.13(6) 3 3_545 ?
B1CC B2D Ba32 66.56(7) 2_655 . ?
B1C B2D Ba32 111.00(9) 2_655 . ?
B2C B2D Ba32 116.87(10) 4 . ?
B2C B2D Ba32 66.45(7) 3 . ?
B2C B2D Ba32 62.86(7) 5_655 . ?
B2C B2D Ba32 113.46(10) 2_655 . ?
Ba22 B2D Ba32 118.13(6) 3 . ?
Ba32 B2D Ba32 117.53(11) 3_545 . ?
B1CC B2D Ba42 110.94(8) 2_655 . ?
B1C B2D Ba42 66.08(7) 2_655 . ?
B2C B2D Ba42 116.96(10) 4 . ?
B2C B2D Ba42 66.73(7) 3 . ?
B2C B2D Ba42 63.13(7) 5_655 . ?
B2C B2D Ba42 113.54(10) 2_655 . ?
Ba22 B2D Ba42 63.53(5) 3 . ?
Ba32 B2D Ba42 176.33(13) 3_545 . ?
Ba32 B2D Ba42 62.68(2) . . ?
B1CC B2D Ba42 110.94(8) 2_655 3_545 ?
B1C B2D Ba42 66.08(7) 2_655 3_545 ?
B2C B2D Ba42 66.73(7) 4 3_545 ?
B2C B2D Ba42 116.96(10) 3 3_545 ?
B2C B2D Ba42 113.54(10) 5_655 3_545 ?
B2C B2D Ba42 63.13(7) 2_655 3_545 ?
Ba22 B2D Ba42 63.53(5) 3 3_545 ?
Ba32 B2D Ba42 62.68(2) 3_545 3_545 ?
Ba32 B2D Ba42 176.33(13) . 3_545 ?
Ba42 B2D Ba42 116.86(10) . 3_545 ?
B3C B3A B3C 108.51(15) 2_665 3_455 ?
B3C B3A B3C 108.51(15) 2_665 1_545 ?
B3C B3A B3C 108.51(15) 3_455 1_545 ?
B3C B3A B1A 110.42(14) 2_665 . ?
B3C B3A B1A 110.42(14) 3_455 . ?
B3C B3A B1A 110.42(14) 1_545 . ?
B3C B3A Ba21 71.40(4) 2_665 . ?
B3C B3A Ba21 179.8(2) 3_455 . ?
B3C B3A Ba21 71.40(4) 1_545 . ?
B1A B3A Ba21 69.75(10) . . ?
B3C B3A Ba21 71.40(4) 2_665 2 ?
B3C B3A Ba21 71.40(4) 3_455 2 ?
B3C B3A Ba21 179.8(2) 1_545 2 ?
B1A B3A Ba21 69.75(10) . 2 ?
Ba21 B3A Ba21 108.68(10) . 2 ?
B3C B3A Ba21 179.8(2) 2_665 4 ?
B3C B3A Ba21 71.40(4) 3_455 4 ?
B3C B3A Ba21 71.40(4) 1_545 4 ?
B1A B3A Ba21 69.75(10) . 4 ?
Ba21 B3A Ba21 108.68(10) . 4 ?
Ba21 B3A Ba21 108.68(10) 2 4 ?
B3C B3A Ba43 69.58(14) 2_665 . ?
B3C B3A Ba43 69.58(14) 3_455 . ?
B3C B3A Ba43 69.58(14) 1_545 . ?
B1A B3A Ba43 180.000(1) . . ?
Ba21 B3A Ba43 110.25(10) . . ?
Ba21 B3A Ba43 110.25(10) 2 . ?
Ba21 B3A Ba43 110.25(10) 4 . ?
B3C B3B B3B 128.34(14) 1_655 2_655 ?
B3C B3B B3B 165.64(14) 1_655 4_665 ?
B3B B3B B3B 60.000(1) 2_655 4_665 ?
B3C B3B B1B 130.62(16) 1_655 . ?
B3B B3B B1B 62.55(7) 2_655 . ?
B3B B3B B1B 62.55(7) 4_665 . ?
B3C B3B B3B 50.62(8) 1_655 5_765 ?
B3B B3B B3B 178.93(8) 2_655 5_765 ?
B3B B3B B3B 121.07(8) 4_665 5_765 ?
B1B B3B B3B 117.77(8) . 5_765 ?
B3C B3B Ba21 73.98(10) 1_655 4_665 ?
B3B B3B Ba21 67.87(9) 2_655 4_665 ?
B3B B3B Ba21 119.82(8) 4_665 4_665 ?
B1B B3B Ba21 68.27(7) . 4_665 ?
B3B B3B Ba21 111.21(5) 5_765 4_665 ?
B3C B3B Ba41 68.85(10) 1_655 2_655 ?
B3B B3B Ba41 117.85(7) 2_655 2_655 ?
B3B B3B Ba41 119.74(6) 4_665 2_655 ?
B1B B3B Ba41 65.98(9) . 2_655 ?
B3B B3B Ba41 61.78(5) 5_765 2_655 ?
Ba21 B3B Ba41 62.39(6) 4_665 2_655 ?
B3C B3B Ba21 110.32(11) 1_655 2_655 ?
B3B B3B Ba21 119.05(9) 2_655 2_655 ?
B3B B3B Ba21 66.98(10) 4_665 2_655 ?
B1B B3B Ba21 67.94(6) . 2_655 ?
B3B B3B Ba21 61.85(5) 5_765 2_655 ?
Ba21 B3B Ba21 122.17(11) 4_665 2_655 ?
Ba41 B3B Ba21 66.29(6) 2_655 2_655 ?
B3C B3B Ba42 103.02(12) 1_655 . ?
B3B B3B Ba42 67.92(4) 2_655 . ?
B3B B3B Ba42 67.92(4) 4_665 . ?
B1B B3B Ba42 122.11(12) . . ?
B3B B3B Ba42 112.33(5) 5_765 . ?
Ba21 B3B Ba42 117.62(7) 4_665 . ?
Ba41 B3B Ba42 171.75(10) 2_655 . ?
Ba21 B3B Ba42 117.02(8) 2_655 . ?
B3C B3B B1C 48.38(12) 1_655 4_665 ?
B3B B3B B1C 117.01(8) 2_655 4_665 ?
B3B B3B B1C 118.58(9) 4_665 4_665 ?
B1B B3B B1C 178.56(10) . 4_665 ?
B3B B3B B1C 62.64(6) 5_765 4_665 ?
Ba21 B3B B1C 110.29(9) 4_665 4_665 ?
Ba41 B3B B1C 113.55(10) 2_655 4_665 ?
Ba21 B3B B1C 113.23(8) 2_655 4_665 ?
Ba42 B3B B1C 58.32(7) . 4_665 ?
B3C B3B Ba22 96.99(13) 1_655 1_655 ?
B3B B3B Ba22 118.16(9) 2_655 1_655 ?
B3B B3B Ba22 69.06(9) 4_665 1_655 ?
B1B B3B Ba22 120.33(8) . 1_655 ?
B3B B3B Ba22 62.68(5) 5_765 1_655 ?
Ba21 B3B Ba22 170.78(10) 4_665 1_655 ?
Ba41 B3B Ba22 116.62(7) 2_655 1_655 ?
Ba21 B3B Ba22 62.26(4) 2_655 1_655 ?
Ba42 B3B Ba22 61.89(6) . 1_655 ?
B1C B3B Ba22 61.12(7) 4_665 1_655 ?
B3C B3B Ba22 64.35(7) 1_655 2_665 ?
B3B B3B Ba22 67.48(9) 2_655 2_665 ?
B3B B3B Ba22 116.87(8) 4_665 2_665 ?
B1B B3B Ba22 119.07(8) . 2_665 ?
B3B B3B Ba22 111.66(5) 5_765 2_665 ?
Ba21 B3B Ba22 62.07(4) 4_665 2_665 ?
Ba41 B3B Ba22 114.18(8) 2_655 2_665 ?
Ba21 B3B Ba22 172.82(10) 2_655 2_665 ?
Ba42 B3B Ba22 61.50(6) . 2_665 ?
B1C B3B Ba22 59.74(6) 4_665 2_665 ?
Ba22 B3B Ba22 112.66(10) 1_655 2_665 ?
B3B B3C B3B 78.75(16) 1_455 5_665 ?
B3B B3C B3A 129.40(14) 1_455 1_565 ?
B3B B3C B3A 129.40(14) 5_665 1_565 ?
B3B B3C B1C 85.39(15) 1_455 4_565 ?
B3B B3C B1C 85.39(15) 5_665 4_565 ?
B3A B3C B1C 130.8(2) 1_565 4_565 ?
B3B B3C Ba22 72.58(6) 1_455 2_565 ?
B3B B3C Ba22 143.71(16) 5_665 2_565 ?
B3A B3C Ba22 86.53(10) 1_565 2_565 ?
B1C B3C Ba22 70.76(8) 4_565 2_565 ?
B3B B3C Ba22 143.71(16) 1_455 3_565 ?
B3B B3C Ba22 72.58(6) 5_665 3_565 ?
B3A B3C Ba22 86.53(10) 1_565 3_565 ?
B1C B3C Ba22 70.76(8) 4_565 3_565 ?
Ba22 B3C Ba22 121.20(12) 2_565 3_565 ?
B3B B3C Ba41 67.60(10) 1_455 2 ?
B3B B3C Ba41 67.60(10) 5_665 2 ?
B3A B3C Ba41 84.74(16) 1_565 2 ?
B1C B3C Ba41 144.50(16) 4_565 2 ?
Ba22 B3C Ba41 118.66(6) 2_565 2 ?
Ba22 B3C Ba41 118.66(6) 3_565 2 ?
B3B B3C Ba43 130.81(10) 1_455 1_565 ?
B3B B3C Ba43 130.81(10) 5_665 1_565 ?
B3A B3C Ba43 67.08(15) 1_565 1_565 ?
B1C B3C Ba43 63.69(11) 4_565 1_565 ?
Ba22 B3C Ba43 61.82(6) 2_565 1_565 ?
Ba22 B3C Ba43 61.82(6) 3_565 1_565 ?
Ba41 B3C Ba43 151.81(13) 2 1_565 ?
B3B B3C Ba21 123.36(12) 1_455 1_565 ?
B3B B3C Ba21 63.81(7) 5_665 1_565 ?
B3A B3C Ba21 65.69(9) 1_565 1_565 ?
B1C B3C Ba21 128.63(5) 4_565 1_565 ?
Ba22 B3C Ba21 152.16(12) 2_565 1_565 ?
Ba22 B3C Ba21 61.52(3) 3_565 1_565 ?
Ba41 B3C Ba21 59.67(6) 2 1_565 ?
Ba43 B3C Ba21 105.77(7) 1_565 1_565 ?
B3B B3C Ba21 63.81(7) 1_455 4_565 ?
B3B B3C Ba21 123.36(12) 5_665 4_565 ?
B3A B3C Ba21 65.69(9) 1_565 4_565 ?
B1C B3C Ba21 128.63(5) 4_565 4_565 ?
Ba22 B3C Ba21 61.52(3) 2_565 4_565 ?
Ba22 B3C Ba21 152.16(12) 3_565 4_565 ?
Ba41 B3C Ba21 59.67(6) 2 4_565 ?
Ba43 B3C Ba21 105.77(7) 1_565 4_565 ?
Ba21 B3C Ba21 102.75(10) 1_565 4_565 ?
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
Ba11 B2A 3.844(5) 1_554 ?
Ba11 B1AA 3.885(4) 1_554 ?
Ba11 B1CC 3.886(3) . ?
Ba11 B1CC 3.886(3) 4 ?
Ba11 B1BB 3.918(3) 3_544 ?
Ba11 B1BB 3.918(3) 1_554 ?
Ba11 Ba33 3.9328(13) . ?
Ba11 Ba31 3.9704(12) 2_544 ?
Ba11 Ba31 3.9704(12) 4_664 ?
Ba11 Ba32 3.9725(12) . ?
Ba11 Ba32 3.9725(12) 3_545 ?
Ba11 B2C 3.982(4) 3 ?
Ba21 B2A 3.504(5) . ?
Ba21 B3B 3.529(3) 5_655 ?
Ba21 B3B 3.529(3) 2_655 ?
Ba21 B3B 3.552(3) 4_665 ?
Ba21 B3B 3.552(3) 3_545 ?
Ba21 B2B 3.569(4) 4_665 ?
Ba21 B2B 3.569(4) 3_545 ?
Ba21 B3A 3.635(3) . ?
Ba21 Ba41 3.6639(6) 2_545 ?
Ba21 Ba41 3.6639(6) 4_665 ?
Ba21 B1B 3.6665(14) 3_545 ?
Ba21 B1B 3.6665(14) . ?
Ba22 B3C 3.488(2) 3_455 ?
Ba22 B3C 3.488(2) 2_665 ?
Ba22 B2C 3.514(3) 5 ?
Ba22 B2C 3.514(3) . ?
Ba22 B2D 3.518(4) 2 ?
Ba22 B3B 3.651(3) 5_665 ?
Ba22 B3B 3.651(3) 1_455 ?
Ba22 B1C 3.655(2) 2 ?
Ba22 B1C 3.655(2) . ?
Ba22 B3B 3.691(3) 6_565 ?
Ba22 B3B 3.691(3) 4_565 ?
Ba22 Ba43 3.7008(9) . ?
Ba31 B1BB 3.5175(5) . ?
Ba31 B1BB 3.5175(5) 3_545 ?
Ba31 B2A 3.522(2) 2_655 ?
Ba31 B2A 3.522(2) 4_655 ?
Ba31 B1CC 3.531(5) 2_656 ?
Ba31 B2B 3.538(3) 3_545 ?
Ba31 B2B 3.538(3) 4_665 ?
Ba31 B1AA 3.5413(8) 1_655 ?
Ba31 B2B 3.597(3) 6 ?
Ba31 B2B 3.597(3) . ?
Ba31 Ba41 3.6964(14) . ?
Ba31 Ba11 3.9704(13) 2_656 ?
Ba32 B1BB 3.474(6) 1_554 ?
Ba32 B1CC 3.5191(16) 2_655 ?
Ba32 B1CC 3.5191(16) 4_665 ?
Ba32 B1CC 3.5191(16) . ?
Ba32 B2D 3.567(2) 2_655 ?
Ba32 B2D 3.567(2) . ?
Ba32 B2D 3.567(2) 4_665 ?
Ba32 B2C 3.567(3) 5_655 ?
Ba32 B2C 3.567(3) 6_665 ?
Ba32 B2C 3.567(3) 3 ?
Ba32 Ba42 3.7167(15) . ?
Ba33 B1CC 3.534(3) . ?
Ba33 B1CC 3.534(3) 4 ?
Ba33 B1CC 3.534(3) 2 ?
Ba33 B2C 3.542(3) . ?
Ba33 B2C 3.542(3) 3 ?
Ba33 B2C 3.542(3) 6 ?
Ba33 B2C 3.542(3) 2 ?
Ba33 B2C 3.542(3) 5 ?
Ba33 B2C 3.542(3) 4 ?
Ba33 B1AA 3.557(8) 1_554 ?
Ba33 Ba43 3.738(2) . ?
Ba33 Ba11 3.9328(13) 4 ?
Ba41 B1A 3.4868(9) 1_655 ?
Ba41 B3B 3.545(4) 3_545 ?
Ba41 B3B 3.545(4) 4_665 ?
Ba41 B2B 3.566(3) 4_665 ?
Ba41 B2B 3.566(3) 3_545 ?
Ba41 B1B 3.5709(8) . ?
Ba41 B1B 3.5709(8) 3_545 ?
Ba41 B3C 3.576(4) 3 ?
Ba41 B2B 3.581(3) . ?
Ba41 B2B 3.581(3) 6 ?
Ba41 B2A 3.621(2) 2_655 ?
Ba41 B2A 3.621(2) 4_655 ?
Ba42 B1C 3.5393(16) 2_655 ?
Ba42 B1C 3.5393(16) 4_665 ?
Ba42 B1C 3.5393(16) . ?
Ba42 B2D 3.5795(19) . ?
Ba42 B2D 3.5795(19) 2_655 ?
Ba42 B2D 3.5795(19) 4_665 ?
Ba42 B2C 3.588(3) 5_655 ?
Ba42 B2C 3.588(3) 3 ?
Ba42 B2C 3.588(3) 6_665 ?
Ba42 B3B 3.616(4) 4_665 ?
Ba42 B3B 3.616(4) . ?
Ba42 B3B 3.616(4) 2_655 ?
Ba42 Ba22 3.7370(6) 1_655 ?
Ba42 Ba22 3.7370(6) 3 ?
Ba42 Ba22 3.7370(6) 2_665 ?
Ba43 B1C 3.498(3) . ?
Ba43 B1C 3.498(3) 4 ?
Ba43 B1C 3.498(3) 2 ?
Ba43 B2C 3.608(3) 6 ?
Ba43 B2C 3.608(3) 2 ?
Ba43 B2C 3.608(3) 3 ?
Ba43 B2C 3.608(3) 5 ?
Ba43 B2C 3.608(3) 4 ?
Ba43 B2C 3.608(3) . ?
Ba43 B3A 3.644(7) . ?
Ba43 Ba22 3.7008(9) 3 ?
B1A B2A 2.703(7) 2 ?
B1A B2A 2.703(7) . ?
B1A B2A 2.703(7) 4 ?
B1A B3A 2.727(10) . ?
B1A Ba41 3.4868(9) 4_665 ?
B1A Ba41 3.4868(9) 2_545 ?
B1A Ba41 3.4868(9) 1_455 ?
B1A Ba21 3.713(3) 4 ?
B1A Ba21 3.713(3) 2 ?
B1B B2B 2.892(6) . ?
B1B B2B 2.892(6) 4_665 ?
B1B B2B 2.892(6) 2_655 ?
B1B B3B 2.948(6) 4_665 ?
B1B B3B 2.948(6) . ?
B1B B3B 2.948(6) 2_655 ?
B1B Ba41 3.5709(8) 2_655 ?
B1B Ba41 3.5709(8) 4_665 ?
B1B Ba21 3.6665(14) 2_655 ?
B1B Ba21 3.6665(14) 4_665 ?
B1C B3C 2.736(7) 2_665 ?
B1C B2C 2.783(6) 3 ?
B1C B2C 2.783(6) . ?
B1C B2D 2.800(6) 4_665 ?
B1C Ba42 3.5393(16) 3 ?
B1C B3B 3.647(6) 6_565 ?
B1C B3B 3.647(6) 2_655 ?
B1C Ba22 3.655(2) 3 ?
B1C Ba22 3.711(4) 2_665 ?
B1AA B2A 2.757(7) 4 ?
B1AA B2A 2.757(7) 2 ?
B1AA B2A 2.757(7) . ?
B1AA Ba31 3.5413(8) 4_665 ?
B1AA Ba31 3.5413(8) 2_545 ?
B1AA Ba31 3.5413(8) 1_455 ?
B1AA Ba33 3.557(8) 1_556 ?
B1AA Ba11 3.885(4) 2_556 ?
B1AA Ba11 3.885(4) 1_556 ?
B1AA Ba11 3.885(4) 4_556 ?
B1BB B2B 2.708(6) . ?
B1BB B2B 2.708(6) 4_665 ?
B1BB B2B 2.708(6) 2_655 ?
B1BB Ba32 3.474(6) 1_556 ?
B1BB Ba31 3.5175(5) 2_655 ?
B1BB Ba31 3.5175(5) 4_665 ?
B1BB Ba11 3.918(3) 2_656 ?
B1BB Ba11 3.918(3) 1_556 ?
B1BB Ba11 3.918(3) 4_666 ?
B1CC B2D 2.713(6) 4_665 ?
B1CC B2C 2.720(5) . ?
B1CC B2C 2.720(5) 3 ?
B1CC Ba32 3.5191(16) 3 ?
B1CC Ba31 3.531(5) 4_664 ?
B1CC Ba11 3.886(3) 2 ?
B2A B1A 2.703(7) . ?
B2A B1AA 2.757(7) . ?
B2A B2B 2.804(6) 4_665 ?
B2A B2B 2.804(6) 3_545 ?
B2A Ba31 3.522(2) 4_665 ?
B2A Ba31 3.522(2) 2_545 ?
B2A Ba41 3.621(2) 2_545 ?
B2A Ba41 3.621(2) 4_665 ?
B2A Ba11 3.844(5) 1_556 ?
B2B B1BB 2.708(6) . ?
B2B B2A 2.804(6) 2_655 ?
B2B B1B 2.892(6) . ?
B2B B2B 2.995(7) 5_765 ?
B2B B2B 3.078(7) 4_665 ?
B2B B2B 3.078(7) 2_655 ?
B2B Ba31 3.538(3) 2_655 ?
B2B Ba41 3.566(3) 2_655 ?
B2B Ba21 3.569(4) 2_655 ?
B2B Ba11 4.117(4) 2_656 ?
B2C B2C 2.839(7) 5 ?
B2C B2D 2.850(6) 2 ?
B2C B2C 3.251(7) 3 ?
B2C B2D 3.254(6) 4_665 ?
B2C Ba32 3.567(3) 3 ?
B2C Ba42 3.588(3) 3 ?
B2C Ba11 3.982(4) 2 ?
B2D B1CC 2.713(6) 2_655 ?
B2D B1C 2.800(6) 2_655 ?
B2D B2C 2.850(6) 4 ?
B2D B2C 2.850(6) 3 ?
B2D B2C 3.254(6) 5_655 ?
B2D B2C 3.254(6) 2_655 ?
B2D Ba22 3.518(4) 3 ?
B2D Ba32 3.567(2) 3_545 ?
B2D Ba42 3.5795(19) 3_545 ?
B3A B3C 2.715(5) 2_665 ?
B3A B3C 2.715(5) 3_455 ?
B3A B3C 2.715(5) 1_545 ?
B3A Ba21 3.635(3) 2 ?
B3A Ba21 3.635(3) 4 ?
B3B B3C 2.642(4) 1_655 ?
B3B B3B 2.719(6) 2_655 ?
B3B B3B 2.719(6) 4_665 ?
B3B B3B 3.352(6) 5_765 ?
B3B Ba21 3.529(3) 4_665 ?
B3B Ba41 3.545(4) 2_655 ?
B3B Ba21 3.552(3) 2_655 ?
B3B B1C 3.647(6) 4_665 ?
B3B Ba22 3.651(3) 1_655 ?
B3B Ba22 3.691(3) 2_665 ?
B3C B3B 2.642(4) 1_455 ?
B3C B3B 2.642(4) 5_665 ?
B3C B3A 2.715(5) 1_565 ?
B3C B1C 2.736(7) 4_565 ?
B3C Ba22 3.488(2) 2_565 ?
B3C Ba22 3.488(2) 3_565 ?
B3C Ba41 3.576(4) 2 ?
B3C Ba43 3.708(4) 1_565 ?
B3C Ba21 3.780(3) 1_565 ?
B3C Ba21 3.780(3) 4_565 ?
