#------------------------------------------------------------------------------
#$Date: 2020-09-29 01:13:37 +0300 (Tue, 29 Sep 2020) $
#$Revision: 256808 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/36/4003690.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_4003690
loop_
_publ_author_name
'Qi, Lu'
'Chen, Zhaohui'
'Shi, Xuerui'
'Zhang, Xiaodong'
'Jing, Qun'
'Li, Na'
'Jiang, Zhongqi'
'Zhang, Bingbing'
'Lee, Ming-Hsien'
_publ_section_title
;
 A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to
 Sustain Large Second-Harmonic Generation Responses
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/acs.chemmater.0c03383
_journal_year                    2020
_chemical_formula_sum            'Ba Bi O14 P4 Rb3'
_chemical_formula_weight         950.61
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.7460(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9377(3)
_cell_length_b                   9.8247(4)
_cell_length_c                   9.1683(3)
_cell_measurement_reflns_used    7207
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.11
_cell_volume                     770.93(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11867
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    23.827
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5065
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-index
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.095
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.162
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.085
_refine_diff_density_max         1.015
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.014(5)
_refine_ls_extinction_coef       0.00101(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         3476
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0261
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0535
_refine_ls_wR_factor_ref         0.0545
_reflns_number_gt                3195
_reflns_number_total             3476
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm0c03383_si_002.cif
_cod_data_source_block           aaa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4003690
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Rb1 Rb 0.48534(10) 0.36471(9) 1.26056(10) 0.0257(2) Uani 1 1 d . . .
Rb2 Rb 1.17652(10) 0.02276(11) 0.30920(10) 0.0309(2) Uani 1 1 d . . .
Rb3 Rb 0.68230(12) -0.09973(11) 0.29843(12) 0.0376(3) Uani 1 1 d . . .
Ba1 Ba 0.75609(6) 0.18871(6) 0.98510(6) 0.01555(12) Uani 1 1 d . . .
Bi1 Bi 1.00227(3) 0.00498(3) 0.72742(3) 0.01389(9) Uani 1 1 d . . .
P1 P 0.8812(2) -0.2089(2) 1.0161(3) 0.0178(5) Uani 1 1 d . . .
P2 P 0.8708(3) 0.2336(2) 1.4371(3) 0.0187(5) Uani 1 1 d . . .
P3 P 0.6284(2) 0.1667(2) 0.5876(3) 0.0198(5) Uani 1 1 d . . .
P4 P 0.6742(3) 0.5716(2) 1.0533(3) 0.0199(5) Uani 1 1 d . . .
O1 O 0.7674(7) 0.4702(6) 0.9942(7) 0.0316(16) Uani 1 1 d . . .
O2 O 0.5812(7) 0.2573(7) 0.6988(8) 0.0358(17) Uani 1 1 d . . .
O3 O 1.0776(7) 0.2752(6) 1.1318(7) 0.0269(15) Uani 1 1 d . . .
O4 O 0.7416(7) 0.5762(7) 1.2281(8) 0.0310(16) Uani 1 1 d . . .
O5 O 0.5043(7) 0.5579(7) 1.0039(9) 0.0374(18) Uani 1 1 d . . .
O6 O 1.0244(8) -0.1419(7) 0.5393(9) 0.047(2) Uani 1 1 d . . .
O7 O 1.2530(7) -0.2328(6) 0.4714(7) 0.0232(15) Uani 1 1 d . . .
O8 O 1.0002(6) -0.2840(6) 1.1451(6) 0.0193(13) Uani 1 1 d . . .
O9 O 0.8537(8) -0.0648(6) 1.0559(8) 0.0346(17) Uani 1 1 d . . .
O10 O 0.7119(7) -0.2815(6) 0.9970(8) 0.0336(17) Uani 1 1 d . . .
O11 O 0.7845(8) 0.2105(9) 1.2754(7) 0.049(2) Uani 1 1 d . . .
O12 O 0.9675(9) 0.1149(8) 1.5144(9) 0.052(2) Uani 1 1 d . . .
O13 O 0.7311(7) 0.0465(6) 0.6664(8) 0.0363(18) Uani 1 1 d . . .
O14 O 0.4990(8) 0.1257(7) 0.4515(8) 0.042(2) Uani 1 1 d . . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Bi Bi -4.1077 10.2566 '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
O13 Rb1 O10 102.01(18) 2_657 2_657 ?
O13 Rb1 O14 106.1(2) 2_657 1_556 ?
O10 Rb1 O14 90.03(19) 2_657 1_556 ?
O13 Rb1 O7 115.25(18) 2_657 2_757 ?
O10 Rb1 O7 130.88(17) 2_657 2_757 ?
O14 Rb1 O7 50.64(17) 1_556 2_757 ?
O13 Rb1 O11 161.6(2) 2_657 . ?
O10 Rb1 O11 96.34(18) 2_657 . ?
O14 Rb1 O11 71.8(2) 1_556 . ?
O7 Rb1 O11 48.75(17) 2_757 . ?
O13 Rb1 O5 89.1(2) 2_657 . ?
O10 Rb1 O5 80.57(19) 2_657 . ?
O14 Rb1 O5 163.6(2) 1_556 . ?
O7 Rb1 O5 128.32(17) 2_757 . ?
O11 Rb1 O5 95.77(18) . . ?
O13 Rb1 O4 99.73(18) 2_657 . ?
O10 Rb1 O4 122.43(18) 2_657 . ?
O14 Rb1 O4 132.78(18) 1_556 . ?
O7 Rb1 O4 82.72(17) 2_757 . ?
O11 Rb1 O4 71.40(19) . . ?
O5 Rb1 O4 47.21(17) . . ?
O13 Rb1 P3 104.63(16) 2_657 1_556 ?
O10 Rb1 P3 114.27(14) 2_657 1_556 ?
O14 Rb1 P3 24.88(13) 1_556 1_556 ?
O7 Rb1 P3 28.16(12) 2_757 1_556 ?
O11 Rb1 P3 65.45(13) . 1_556 ?
O5 Rb1 P3 156.37(12) . 1_556 ?
O4 Rb1 P3 110.49(12) . 1_556 ?
O13 Rb1 P4 103.17(15) 2_657 . ?
O10 Rb1 P4 96.89(14) 2_657 . ?
O14 Rb1 P4 147.71(15) 1_556 . ?
O7 Rb1 P4 104.05(12) 2_757 . ?
O11 Rb1 P4 76.14(15) . . ?
O5 Rb1 P4 24.32(12) . . ?
O4 Rb1 P4 25.92(12) . . ?
P3 Rb1 P4 132.06(6) 1_556 . ?
O13 Rb1 P3 24.96(13) 2_657 2_657 ?
O10 Rb1 P3 124.05(12) 2_657 2_657 ?
O14 Rb1 P3 113.96(16) 1_556 2_657 ?
O7 Rb1 P3 100.87(12) 2_757 2_657 ?
O11 Rb1 P3 138.28(16) . 2_657 ?
O5 Rb1 P3 82.46(15) . 2_657 ?
O4 Rb1 P3 77.60(12) . 2_657 ?
P3 Rb1 P3 101.79(3) 1_556 2_657 ?
P4 Rb1 P3 88.00(6) . 2_657 ?
O13 Rb1 P1 75.49(13) 2_657 2_657 ?
O10 Rb1 P1 26.51(12) 2_657 2_657 ?
O14 Rb1 P1 97.70(14) 1_556 2_657 ?
O7 Rb1 P1 147.77(13) 2_757 2_657 ?
O11 Rb1 P1 122.85(15) . 2_657 ?
O5 Rb1 P1 79.83(13) . 2_657 ?
O4 Rb1 P1 127.04(13) . 2_657 ?
P3 Rb1 P1 121.87(6) 1_556 2_657 ?
P4 Rb1 P1 102.48(6) . 2_657 ?
P3 Rb1 P1 98.00(5) 2_657 2_657 ?
O13 Rb1 P2 138.21(14) 2_657 . ?
O10 Rb1 P2 118.00(13) 2_657 . ?
O14 Rb1 P2 64.63(14) 1_556 . ?
O7 Rb1 P2 26.24(12) 2_757 . ?
O11 Rb1 P2 23.90(13) . . ?
O5 Rb1 P2 108.03(12) . . ?
O4 Rb1 P2 69.67(12) . . ?
P3 Rb1 P2 49.30(5) 1_556 . ?
P4 Rb1 P2 84.48(5) . . ?
P3 Rb1 P2 117.95(6) 2_657 . ?
P1 Rb1 P2 143.73(6) 2_657 . ?
O7 Rb2 O3 176.05(17) . 1_554 ?
O7 Rb2 O14 90.80(18) . 1_655 ?
O3 Rb2 O14 93.11(19) 1_554 1_655 ?
O7 Rb2 O1 104.37(17) . 2_746 ?
O3 Rb2 O1 74.86(17) 1_554 2_746 ?
O14 Rb2 O1 93.74(19) 1_655 2_746 ?
O7 Rb2 O12 92.03(17) . 1_554 ?
O3 Rb2 O12 87.28(17) 1_554 1_554 ?
O14 Rb2 O12 107.9(2) 1_655 1_554 ?
O1 Rb2 O12 152.72(19) 2_746 1_554 ?
O7 Rb2 O6 46.90(16) . . ?
O3 Rb2 O6 131.26(17) 1_554 . ?
O14 Rb2 O6 114.70(19) 1_655 . ?
O1 Rb2 O6 136.58(18) 2_746 . ?
O12 Rb2 O6 47.39(17) 1_554 . ?
O7 Rb2 O9 99.59(16) . 1_554 ?
O3 Rb2 O9 76.50(16) 1_554 1_554 ?
O14 Rb2 O9 161.71(18) 1_655 1_554 ?
O1 Rb2 O9 69.19(16) 2_746 1_554 ?
O12 Rb2 O9 86.9(2) 1_554 1_554 ?
O6 Rb2 O9 83.15(18) . 1_554 ?
O7 Rb2 O2 44.75(16) . 2_746 ?
O3 Rb2 O2 136.19(16) 1_554 2_746 ?
O14 Rb2 O2 74.22(19) 1_655 2_746 ?
O1 Rb2 O2 64.67(17) 2_746 2_746 ?
O12 Rb2 O2 136.50(16) 1_554 2_746 ?
O6 Rb2 O2 91.17(16) . 2_746 ?
O9 Rb2 O2 102.75(16) 1_554 2_746 ?
O7 Rb2 O8 59.30(15) . 1_554 ?
O3 Rb2 O8 117.10(14) 1_554 1_554 ?
O14 Rb2 O8 137.18(17) 1_655 1_554 ?
O1 Rb2 O8 68.43(15) 2_746 1_554 ?
O12 Rb2 O8 103.4(2) 1_554 1_554 ?
O6 Rb2 O8 68.46(16) . 1_554 ?
O9 Rb2 O8 43.55(13) 1_554 1_554 ?
O2 Rb2 O8 62.96(14) 2_746 1_554 ?
O7 Rb2 P2 23.47(12) . 2_747 ?
O3 Rb2 P2 154.39(13) 1_554 2_747 ?
O14 Rb2 P2 104.60(14) 1_655 2_747 ?
O1 Rb2 P2 121.25(13) 2_746 2_747 ?
O12 Rb2 P2 69.89(14) 1_554 2_747 ?
O6 Rb2 P2 23.49(12) . 2_747 ?
O9 Rb2 P2 90.40(12) 1_554 2_747 ?
O2 Rb2 P2 67.76(11) 2_746 2_747 ?
O8 Rb2 P2 60.28(10) 1_554 2_747 ?
O7 Rb2 P2 113.02(12) . 1_554 ?
O3 Rb2 P2 65.96(12) 1_554 1_554 ?
O14 Rb2 P2 111.37(15) 1_655 1_554 ?
O1 Rb2 P2 133.79(12) 2_746 1_554 ?
O12 Rb2 P2 21.71(12) 1_554 1_554 ?
O6 Rb2 P2 66.79(12) . 1_554 ?
O9 Rb2 P2 78.44(11) 1_554 1_554 ?
O2 Rb2 P2 157.77(11) 2_746 1_554 ?
O8 Rb2 P2 108.58(10) 1_554 1_554 ?
P2 Rb2 P2 90.11(3) 2_747 1_554 ?
O7 Rb2 P3 22.46(12) . 2_746 ?
O3 Rb2 P3 157.97(13) 1_554 2_746 ?
O14 Rb2 P3 83.67(15) 1_655 2_746 ?
O1 Rb2 P3 83.59(12) 2_746 2_746 ?
O12 Rb2 P3 114.49(13) 1_554 2_746 ?
O6 Rb2 P3 68.76(12) . 2_746 ?
O9 Rb2 P3 100.26(11) 1_554 2_746 ?
O2 Rb2 P3 22.44(11) 2_746 2_746 ?
O8 Rb2 P3 56.72(9) 1_554 2_746 ?
P2 Rb2 P3 45.32(5) 2_747 2_746 ?
P2 Rb2 P3 135.37(5) 1_554 2_746 ?
O2 Rb3 O9 132.33(19) 2_646 1_554 ?
O2 Rb3 O5 91.21(18) 2_646 2_646 ?
O9 Rb3 O5 63.95(17) 1_554 2_646 ?
O2 Rb3 O11 138.37(19) 2_646 1_554 ?
O9 Rb3 O11 68.54(16) 1_554 1_554 ?
O5 Rb3 O11 64.48(17) 2_646 1_554 ?
O2 Rb3 O6 124.8(2) 2_646 . ?
O9 Rb3 O6 86.44(19) 1_554 . ?
O5 Rb3 O6 143.86(18) 2_646 . ?
O11 Rb3 O6 86.32(19) 1_554 . ?
O2 Rb3 O14 78.89(19) 2_646 . ?
O9 Rb3 O14 130.35(17) 1_554 . ?
O5 Rb3 O14 81.05(17) 2_646 . ?
O11 Rb3 O14 64.88(17) 1_554 . ?
O6 Rb3 O14 106.42(16) . . ?
O2 Rb3 O4 72.37(18) 2_646 1_544 ?
O9 Rb3 O4 79.92(16) 1_554 1_544 ?
O5 Rb3 O4 111.66(17) 2_646 1_544 ?
O11 Rb3 O4 146.52(16) 1_554 1_544 ?
O6 Rb3 O4 80.66(16) . 1_544 ?
O14 Rb3 O4 148.52(16) . 1_544 ?
O2 Rb3 O10 90.38(17) 2_646 1_554 ?
O9 Rb3 O10 44.65(15) 1_554 1_554 ?
O5 Rb3 O10 71.91(16) 2_646 1_554 ?
O11 Rb3 O10 111.06(15) 1_554 1_554 ?
O6 Rb3 O10 102.11(16) . 1_554 ?
O14 Rb3 O10 150.69(16) . 1_554 ?
O4 Rb3 O10 43.68(15) 1_544 1_554 ?
O2 Rb3 O12 143.01(19) 2_646 1_554 ?
O9 Rb3 O12 84.66(17) 1_554 1_554 ?
O5 Rb3 O12 108.40(16) 2_646 1_554 ?
O11 Rb3 O12 44.02(16) 1_554 1_554 ?
O6 Rb3 O12 45.00(16) . 1_554 ?
O14 Rb3 O12 73.83(17) . 1_554 ?
O4 Rb3 O12 124.28(15) 1_544 1_554 ?
O10 Rb3 O12 125.07(16) 1_554 1_554 ?
O2 Rb3 O13 93.94(17) 2_646 . ?
O9 Rb3 O13 133.60(16) 1_554 . ?
O5 Rb3 O13 121.00(17) 2_646 . ?
O11 Rb3 O13 73.76(15) 1_554 . ?
O6 Rb3 O13 64.79(16) . . ?
O14 Rb3 O13 43.07(14) . . ?
O4 Rb3 O13 125.84(15) 1_544 . ?
O10 Rb3 O13 166.21(14) 1_554 . ?
O12 Rb3 O13 49.11(15) 1_554 . ?
O2 Rb3 P1 116.39(15) 2_646 1_554 ?
O9 Rb3 P1 23.30(12) 1_554 1_554 ?
O5 Rb3 P1 76.65(13) 2_646 1_554 ?
O11 Rb3 P1 91.50(12) 1_554 1_554 ?
O6 Rb3 P1 83.71(13) . 1_554 ?
O14 Rb3 P1 152.95(13) . 1_554 ?
O4 Rb3 P1 56.63(12) 1_544 1_554 ?
O10 Rb3 P1 26.26(10) 1_554 1_554 ?
O12 Rb3 P1 98.86(12) 1_554 1_554 ?
O13 Rb3 P1 145.56(10) . 1_554 ?
O2 Rb3 P2 138.48(15) 2_646 1_554 ?
O9 Rb3 P2 82.99(13) 1_554 1_554 ?
O5 Rb3 P2 86.66(13) 2_646 1_554 ?
O11 Rb3 P2 23.01(12) 1_554 1_554 ?
O6 Rb3 P2 68.64(14) . 1_554 ?
O14 Rb3 P2 59.81(12) . 1_554 ?
O4 Rb3 P2 145.60(11) 1_544 1_554 ?
O10 Rb3 P2 127.63(11) 1_554 1_554 ?
O12 Rb3 P2 23.70(11) 1_554 1_554 ?
O13 Rb3 P2 53.56(10) . 1_554 ?
P1 Rb3 P2 103.41(5) 1_554 1_554 ?
O11 Ba1 O9 84.2(2) . . ?
O11 Ba1 O5 80.3(2) . 2_647 ?
O9 Ba1 O5 76.7(2) . 2_647 ?
O11 Ba1 O2 145.4(2) . . ?
O9 Ba1 O2 121.6(2) . . ?
O5 Ba1 O2 83.8(2) 2_647 . ?
O11 Ba1 O1 84.0(2) . . ?
O9 Ba1 O1 157.3(2) . . ?
O5 Ba1 O1 120.10(19) 2_647 . ?
O2 Ba1 O1 77.7(2) . . ?
O11 Ba1 O8 124.9(2) . 2_757 ?
O9 Ba1 O8 87.30(18) . 2_757 ?
O5 Ba1 O8 148.91(19) 2_647 2_757 ?
O2 Ba1 O8 82.27(17) . 2_757 ?
O1 Ba1 O8 83.69(17) . 2_757 ?
O11 Ba1 O3 73.34(19) . . ?
O9 Ba1 O3 87.14(18) . . ?
O5 Ba1 O3 150.3(2) 2_647 . ?
O2 Ba1 O3 125.87(18) . . ?
O1 Ba1 O3 70.94(17) . . ?
O8 Ba1 O3 51.88(15) 2_757 . ?
O11 Ba1 O13 158.7(2) . . ?
O9 Ba1 O13 75.20(19) . . ?
O5 Ba1 O13 89.55(19) 2_647 . ?
O2 Ba1 O13 49.93(17) . . ?
O1 Ba1 O13 117.23(18) . . ?
O8 Ba1 O13 60.38(15) 2_757 . ?
O3 Ba1 O13 110.41(16) . . ?
O11 Ba1 P1 99.59(17) . 2_757 ?
O9 Ba1 P1 91.83(14) . 2_757 ?
O5 Ba1 P1 168.47(15) 2_647 2_757 ?
O2 Ba1 P1 101.93(14) . 2_757 ?
O1 Ba1 P1 71.18(13) . 2_757 ?
O8 Ba1 P1 26.40(12) 2_757 2_757 ?
O3 Ba1 P1 26.34(12) . 2_757 ?
O13 Ba1 P1 86.66(11) . 2_757 ?
O11 Ba1 P3 167.10(16) . . ?
O9 Ba1 P3 100.50(16) . . ?
O5 Ba1 P3 89.05(17) 2_647 . ?
O2 Ba1 P3 24.10(14) . . ?
O1 Ba1 P3 95.23(14) . . ?
O8 Ba1 P3 67.64(12) 2_757 . ?
O3 Ba1 P3 118.64(12) . . ?
O13 Ba1 P3 26.13(11) . . ?
P1 Ba1 P3 92.30(5) 2_757 . ?
O11 Ba1 Bi1 135.75(17) . . ?
O9 Ba1 Bi1 62.18(14) . . ?
O5 Ba1 Bi1 115.31(16) 2_647 . ?
O2 Ba1 Bi1 78.89(13) . . ?
O1 Ba1 Bi1 115.97(13) . . ?
O8 Ba1 Bi1 34.45(11) 2_757 . ?
O3 Ba1 Bi1 76.87(12) . . ?
O13 Ba1 Bi1 35.23(11) . . ?
P1 Ba1 Bi1 57.00(4) 2_757 . ?
P3 Ba1 Bi1 55.83(4) . . ?
O11 Ba1 Rb1 120.10(19) . 2_647 ?
O9 Ba1 Rb1 59.60(15) . 2_647 ?
O5 Ba1 Rb1 47.90(16) 2_647 2_647 ?
O2 Ba1 Rb1 66.47(14) . 2_647 ?
O1 Ba1 Rb1 142.68(14) . 2_647 ?
O8 Ba1 Rb1 101.01(11) 2_757 2_647 ?
O3 Ba1 Rb1 139.82(12) . 2_647 ?
O13 Ba1 Rb1 43.52(11) . 2_647 ?
P1 Ba1 Rb1 125.13(4) 2_757 2_647 ?
P3 Ba1 Rb1 54.68(4) . 2_647 ?
Bi1 Ba1 Rb1 68.148(17) . 2_647 ?
O12 Bi1 O6 70.1(3) 1_554 . ?
O12 Bi1 O4 83.5(3) 1_554 2_747 ?
O6 Bi1 O4 91.6(2) . 2_747 ?
O12 Bi1 O13 80.2(2) 1_554 . ?
O6 Bi1 O13 103.6(3) . . ?
O4 Bi1 O13 152.3(2) 2_747 . ?
O12 Bi1 O8 89.4(3) 1_554 2_757 ?
O6 Bi1 O8 158.2(2) . 2_757 ?
O4 Bi1 O8 78.4(2) 2_747 2_757 ?
O13 Bi1 O8 79.2(2) . 2_757 ?
O12 Bi1 P4 110.2(2) 1_554 2_747 ?
O6 Bi1 P4 110.83(18) . 2_747 ?
O4 Bi1 P4 29.03(17) 2_747 2_747 ?
O13 Bi1 P4 145.58(19) . 2_747 ?
O8 Bi1 P4 68.57(13) 2_757 2_747 ?
O12 Bi1 Ba1 109.80(19) 1_554 . ?
O6 Bi1 Ba1 152.61(19) . . ?
O4 Bi1 Ba1 115.76(17) 2_747 . ?
O13 Bi1 Ba1 51.18(19) . . ?
O8 Bi1 Ba1 41.33(13) 2_757 . ?
P4 Bi1 Ba1 95.13(4) 2_747 . ?
O12 Bi1 Ba1 146.88(18) 1_554 2_747 ?
O6 Bi1 Ba1 82.42(19) . 2_747 ?
O4 Bi1 Ba1 79.12(16) 2_747 2_747 ?
O13 Bi1 Ba1 125.32(15) . 2_747 ?
O8 Bi1 Ba1 114.06(14) 2_757 2_747 ?
P4 Bi1 Ba1 62.34(4) 2_747 2_747 ?
Ba1 Bi1 Ba1 103.127(9) . 2_747 ?
O12 Bi1 Rb3 53.7(3) 1_554 . ?
O6 Bi1 Rb3 48.51(18) . . ?
O4 Bi1 Rb3 126.96(16) 2_747 . ?
O13 Bi1 Rb3 56.89(19) . . ?
O8 Bi1 Rb3 124.26(13) 2_757 . ?
P4 Bi1 Rb3 155.03(5) 2_747 . ?
Ba1 Bi1 Rb3 108.056(17) . . ?
Ba1 Bi1 Rb3 118.817(19) 2_747 . ?
O12 Bi1 Rb2 38.47(18) 1_554 . ?
O6 Bi1 Rb2 42.8(2) . . ?
O4 Bi1 Rb2 64.83(17) 2_747 . ?
O13 Bi1 Rb2 111.83(18) . . ?
O8 Bi1 Rb2 115.77(14) 2_757 . ?
P4 Bi1 Rb2 93.27(5) 2_747 . ?
Ba1 Bi1 Rb2 147.669(16) . . ?
Ba1 Bi1 Rb2 108.420(15) 2_747 . ?
Rb3 Bi1 Rb2 62.145(18) . . ?
O9 P1 O3 114.5(4) . 2_747 ?
O9 P1 O8 113.1(4) . . ?
O3 P1 O8 110.4(3) 2_747 . ?
O9 P1 O10 103.1(4) . . ?
O3 P1 O10 108.4(4) 2_747 . ?
O8 P1 O10 106.7(3) . . ?
O9 P1 Ba1 120.2(3) . 2_747 ?
O3 P1 Ba1 59.2(2) 2_747 2_747 ?
O8 P1 Ba1 53.8(2) . 2_747 ?
O10 P1 Ba1 136.4(2) . 2_747 ?
O9 P1 Rb1 78.6(3) . 2_647 ?
O3 P1 Rb1 78.2(2) 2_747 2_647 ?
O8 P1 Rb1 158.6(2) . 2_647 ?
O10 P1 Rb1 52.1(2) . 2_647 ?
Ba1 P1 Rb1 137.25(8) 2_747 2_647 ?
O9 P1 Rb3 53.9(3) . 1_556 ?
O3 P1 Rb3 161.5(3) 2_747 1_556 ?
O8 P1 Rb3 88.1(2) . 1_556 ?
O10 P1 Rb3 65.5(3) . 1_556 ?
Ba1 P1 Rb3 137.74(7) 2_747 1_556 ?
Rb1 P1 Rb3 84.92(5) 2_647 1_556 ?
O9 P1 Rb2 146.0(3) . 2_746 ?
O3 P1 Rb2 42.0(2) 2_747 2_746 ?
O8 P1 Rb2 100.0(2) . 2_746 ?
O10 P1 Rb2 73.1(3) . 2_746 ?
Ba1 P1 Rb2 73.35(5) 2_747 2_746 ?
Rb1 P1 Rb2 72.75(5) 2_647 2_746 ?
Rb3 P1 Rb2 138.34(6) 1_556 2_746 ?
O9 P1 Rb2 53.7(3) . 1_556 ?
O3 P1 Rb2 112.7(2) 2_747 1_556 ?
O8 P1 Rb2 64.4(2) . 1_556 ?
O10 P1 Rb2 138.4(3) . 1_556 ?
Ba1 P1 Rb2 73.66(4) 2_747 1_556 ?
Rb1 P1 Rb2 131.77(6) 2_647 1_556 ?
Rb3 P1 Rb2 73.47(5) 1_556 1_556 ?
Rb2 P1 Rb2 146.42(6) 2_746 1_556 ?
O11 P2 O12 114.7(5) . . ?
O11 P2 O6 112.9(5) . 2_757 ?
O12 P2 O6 108.1(5) . 2_757 ?
O11 P2 O7 108.4(4) . 2_757 ?
O12 P2 O7 107.6(4) . 2_757 ?
O6 P2 O7 104.5(4) 2_757 2_757 ?
O11 P2 Rb1 56.5(3) . . ?
O12 P2 Rb1 146.8(4) . . ?
O6 P2 Rb1 104.3(3) 2_757 . ?
O7 P2 Rb1 56.3(2) 2_757 . ?
O11 P2 Rb3 58.0(3) . 1_556 ?
O12 P2 Rb3 67.8(4) . 1_556 ?
O6 P2 Rb3 162.7(3) 2_757 1_556 ?
O7 P2 Rb3 92.7(2) 2_757 1_556 ?
Rb1 P2 Rb3 83.17(5) . 1_556 ?
O11 P2 Rb2 127.9(3) . 2_757 ?
O12 P2 Rb2 116.4(4) . 2_757 ?
O6 P2 Rb2 58.6(3) 2_757 2_757 ?
O7 P2 Rb2 46.0(2) 2_757 2_757 ?
Rb1 P2 Rb2 75.20(5) . 2_757 ?
Rb3 P2 Rb2 138.65(7) 1_556 2_757 ?
O11 P2 Rb2 79.9(3) . 1_556 ?
O12 P2 Rb2 50.7(3) . 1_556 ?
O6 P2 Rb2 90.8(3) 2_757 1_556 ?
O7 P2 Rb2 157.3(2) 2_757 1_556 ?
Rb1 P2 Rb2 136.37(7) . 1_556 ?
Rb3 P2 Rb2 73.51(5) 1_556 1_556 ?
Rb2 P2 Rb2 143.55(7) 2_757 1_556 ?
O14 P3 O2 115.2(4) . . ?
O14 P3 O13 113.5(4) . . ?
O2 P3 O13 112.5(4) . . ?
O14 P3 O7 107.6(4) . 2_756 ?
O2 P3 O7 101.6(4) . 2_756 ?
O13 P3 O7 105.1(3) . 2_756 ?
O14 P3 Rb1 55.1(3) . 1_554 ?
O2 P3 Rb1 98.5(3) . 1_554 ?
O13 P3 Rb1 148.2(3) . 1_554 ?
O7 P3 Rb1 59.7(2) 2_756 1_554 ?
O14 P3 Ba1 146.1(3) . . ?
O2 P3 Ba1 47.8(3) . . ?
O13 P3 Ba1 65.7(3) . . ?
O7 P3 Ba1 104.9(2) 2_756 . ?
Rb1 P3 Ba1 142.08(8) 1_554 . ?
O14 P3 Rb1 82.1(3) . 2_647 ?
O2 P3 Rb1 93.5(3) . 2_647 ?
O13 P3 Rb1 51.3(2) . 2_647 ?
O7 P3 Rb1 155.9(2) 2_756 2_647 ?
Rb1 P3 Rb1 136.64(7) 1_554 2_647 ?
Ba1 P3 Rb1 71.78(4) . 2_647 ?
O14 P3 Rb3 57.4(3) . . ?
O2 P3 Rb3 169.9(3) . . ?
O13 P3 Rb3 68.1(3) . . ?
O7 P3 Rb3 87.8(2) 2_756 . ?
Rb1 P3 Rb3 82.82(5) 1_554 . ?
Ba1 P3 Rb3 133.71(7) . . ?
Rb1 P3 Rb3 78.97(5) 2_647 . ?
O14 P3 Rb2 129.0(3) . 2_756 ?
O2 P3 Rb2 59.8(3) . 2_756 ?
O13 P3 Rb2 114.2(3) . 2_756 ?
O7 P3 Rb2 42.1(2) 2_756 2_756 ?
Rb1 P3 Rb2 74.70(5) 1_554 2_756 ?
Ba1 P3 Rb2 72.73(5) . 2_756 ?
Rb1 P3 Rb2 144.42(7) 2_647 2_756 ?
Rb3 P3 Rb2 129.80(6) . 2_756 ?
O14 P3 Rb3 86.8(3) . 2_656 ?
O2 P3 Rb3 28.8(3) . 2_656 ?
O13 P3 Rb3 133.4(3) . 2_656 ?
O7 P3 Rb3 107.7(2) 2_756 2_656 ?
Rb1 P3 Rb3 78.05(5) 1_554 2_656 ?
Ba1 P3 Rb3 74.51(5) . 2_656 ?
Rb1 P3 Rb3 94.53(5) 2_647 2_656 ?
Rb3 P3 Rb3 144.07(6) . 2_656 ?
Rb2 P3 Rb3 73.46(5) 2_756 2_656 ?
O5 P4 O1 117.6(4) . . ?
O5 P4 O4 112.7(4) . . ?
O1 P4 O4 107.7(4) . . ?
O5 P4 O10 106.2(4) . 1_565 ?
O1 P4 O10 107.0(4) . 1_565 ?
O4 P4 O10 104.6(4) . 1_565 ?
O5 P4 Bi1 151.6(3) . 2_757 ?
O1 P4 Bi1 65.1(3) . 2_757 ?
O4 P4 Bi1 46.8(2) . 2_757 ?
O10 P4 Bi1 99.0(2) 1_565 2_757 ?
O5 P4 Rb1 59.9(3) . . ?
O1 P4 Rb1 102.4(3) . . ?
O4 P4 Rb1 64.0(2) . . ?
O10 P4 Rb1 150.6(3) 1_565 . ?
Bi1 P4 Rb1 91.77(6) 2_757 . ?
O5 P4 Rb3 95.7(3) . 1_566 ?
O1 P4 Rb3 146.6(3) . 1_566 ?
O4 P4 Rb3 56.2(3) . 1_566 ?
O10 P4 Rb3 58.1(3) 1_565 1_566 ?
Bi1 P4 Rb3 86.67(6) 2_757 1_566 ?
Rb1 P4 Rb3 95.65(6) . 1_566 ?
O5 P4 Rb2 107.5(3) . 2_756 ?
O1 P4 Rb2 42.0(3) . 2_756 ?
O4 P4 Rb2 138.8(2) . 2_756 ?
O10 P4 Rb2 71.6(3) 1_565 2_756 ?
Bi1 P4 Rb2 92.41(5) 2_757 2_756 ?
Rb1 P4 Rb2 135.50(7) . 2_756 ?
Rb3 P4 Rb2 128.82(6) 1_566 2_756 ?
O5 P4 Rb1 73.9(3) . 2_657 ?
O1 P4 Rb1 109.7(3) . 2_657 ?
O4 P4 Rb1 132.3(3) . 2_657 ?
O10 P4 Rb1 35.9(2) 1_565 2_657 ?
Bi1 P4 Rb1 133.67(7) 2_757 2_657 ?
Rb1 P4 Rb1 132.13(6) . 2_657 ?
Rb3 P4 Rb1 76.42(5) 1_566 2_657 ?
Rb2 P4 Rb1 67.79(4) 2_756 2_657 ?
P4 O1 Ba1 131.0(3) . . ?
P4 O1 Rb2 118.6(3) . 2_756 ?
Ba1 O1 Rb2 99.10(19) . 2_756 ?
P3 O2 Ba1 108.1(3) . . ?
P3 O2 Rb3 135.9(4) . 2_656 ?
Ba1 O2 Rb3 111.9(2) . 2_656 ?
P3 O2 Rb2 97.7(3) . 2_756 ?
Ba1 O2 Rb2 91.06(18) . 2_756 ?
Rb3 O2 Rb2 99.3(2) 2_656 2_756 ?
P1 O3 Ba1 94.5(3) 2_757 . ?
P1 O3 Rb2 117.9(3) 2_757 1_556 ?
Ba1 O3 Rb2 96.17(17) . 1_556 ?
P1 O3 Rb1 77.5(2) 2_757 1_655 ?
Ba1 O3 Rb1 171.4(2) . 1_655 ?
Rb2 O3 Rb1 84.88(14) 1_556 1_655 ?
P4 O4 Bi1 104.2(3) . 2_757 ?
P4 O4 Rb1 90.1(3) . . ?
Bi1 O4 Rb1 119.3(2) 2_757 . ?
P4 O4 Rb3 101.2(3) . 1_566 ?
Bi1 O4 Rb3 117.4(2) 2_757 1_566 ?
Rb1 O4 Rb3 116.74(18) . 1_566 ?
P4 O5 Ba1 141.2(4) . 2_657 ?
P4 O5 Rb1 95.8(3) . . ?
Ba1 O5 Rb1 91.6(2) 2_657 . ?
P4 O5 Rb3 123.4(4) . 2_656 ?
Ba1 O5 Rb3 91.33(18) 2_657 2_656 ?
Rb1 O5 Rb3 103.6(2) . 2_656 ?
P2 O6 Bi1 125.5(5) 2_747 . ?
P2 O6 Rb3 128.5(4) 2_747 . ?
Bi1 O6 Rb3 99.4(2) . . ?
P2 O6 Rb2 97.9(3) 2_747 . ?
Bi1 O6 Rb2 108.5(3) . . ?
Rb3 O6 Rb2 89.0(2) . . ?
P2 O7 P3 130.8(4) 2_747 2_746 ?
P2 O7 Rb2 110.5(3) 2_747 . ?
P3 O7 Rb2 115.4(3) 2_746 . ?
P2 O7 Rb1 97.4(3) 2_747 2_747 ?
P3 O7 Rb1 92.1(2) 2_746 2_747 ?
Rb2 O7 Rb1 98.95(18) . 2_747 ?
P1 O8 Bi1 134.0(3) . 2_747 ?
P1 O8 Ba1 99.8(3) . 2_747 ?
Bi1 O8 Ba1 104.22(19) 2_747 2_747 ?
P1 O8 Rb2 92.5(2) . 1_556 ?
Bi1 O8 Rb2 126.9(2) 2_747 1_556 ?
Ba1 O8 Rb2 87.52(13) 2_747 1_556 ?
P1 O9 Ba1 152.9(4) . . ?
P1 O9 Rb3 102.9(3) . 1_556 ?
Ba1 O9 Rb3 94.86(18) . 1_556 ?
P1 O9 Rb2 104.5(3) . 1_556 ?
Ba1 O9 Rb2 95.03(19) . 1_556 ?
Rb3 O9 Rb2 92.16(19) 1_556 1_556 ?
P1 O9 Rb1 77.4(3) . 2_647 ?
Ba1 O9 Rb1 80.95(17) . 2_647 ?
Rb3 O9 Rb1 94.74(17) 1_556 2_647 ?
Rb2 O9 Rb1 172.3(2) 1_556 2_647 ?
P4 O10 P1 129.3(4) 1_545 . ?
P4 O10 Rb1 125.2(3) 1_545 2_647 ?
P1 O10 Rb1 101.4(3) . 2_647 ?
P4 O10 Rb3 98.1(3) 1_545 1_556 ?
P1 O10 Rb3 88.3(3) . 1_556 ?
Rb1 O10 Rb3 103.52(18) 2_647 1_556 ?
P2 O11 Ba1 154.8(4) . . ?
P2 O11 Rb1 99.6(3) . . ?
Ba1 O11 Rb1 99.8(2) . . ?
P2 O11 Rb3 99.0(4) . 1_556 ?
Ba1 O11 Rb3 92.5(2) . 1_556 ?
Rb1 O11 Rb3 102.3(2) . 1_556 ?
P2 O12 Bi1 136.3(4) . 1_556 ?
P2 O12 Rb2 107.6(3) . 1_556 ?
Bi1 O12 Rb2 116.0(3) 1_556 1_556 ?
P2 O12 Rb3 88.5(4) . 1_556 ?
Bi1 O12 Rb3 95.9(3) 1_556 1_556 ?
Rb2 O12 Rb3 87.1(2) 1_556 1_556 ?
P3 O13 Bi1 132.5(3) . . ?
P3 O13 Rb1 103.7(3) . 2_647 ?
Bi1 O13 Rb1 123.8(2) . 2_647 ?
P3 O13 Ba1 88.2(3) . . ?
Bi1 O13 Ba1 93.6(2) . . ?
Rb1 O13 Ba1 86.12(19) 2_647 . ?
P3 O13 Rb3 88.4(3) . . ?
Bi1 O13 Rb3 89.5(2) . . ?
Rb1 O13 Rb3 93.63(18) 2_647 . ?
Ba1 O13 Rb3 176.4(2) . . ?
P3 O14 Rb1 100.0(3) . 1_554 ?
P3 O14 Rb2 151.3(4) . 1_455 ?
Rb1 O14 Rb2 98.2(2) 1_554 1_455 ?
P3 O14 Rb3 100.2(3) . . ?
Rb1 O14 Rb3 103.1(2) 1_554 . ?
Rb2 O14 Rb3 97.03(19) 1_455 . ?
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
Rb1 O13 2.851(6) 2_657 ?
Rb1 O10 2.889(6) 2_657 ?
Rb1 O14 2.910(7) 1_556 ?
Rb1 O7 3.019(6) 2_757 ?
Rb1 O11 3.042(7) . ?
Rb1 O5 3.066(7) . ?
Rb1 O4 3.170(6) . ?
Rb1 P3 3.493(2) 1_556 ?
Rb1 P4 3.527(2) . ?
Rb1 P3 3.548(2) 2_657 ?
Rb1 P1 3.591(2) 2_657 ?
Rb1 P2 3.597(2) . ?
Rb2 O7 2.898(6) . ?
Rb2 O3 2.958(6) 1_554 ?
Rb2 O14 2.978(7) 1_655 ?
Rb2 O1 3.009(7) 2_746 ?
Rb2 O12 3.142(7) 1_554 ?
Rb2 O6 3.251(8) . ?
Rb2 O9 3.255(7) 1_554 ?
Rb2 O2 3.404(7) 2_746 ?
Rb2 O8 3.530(6) 1_554 ?
Rb2 P2 3.772(2) 2_747 ?
Rb2 P2 3.870(2) 1_554 ?
Rb2 P3 3.902(3) 2_746 ?
Rb3 O2 2.748(6) 2_646 ?
Rb3 O9 3.061(7) 1_554 ?
Rb3 O5 3.194(8) 2_646 ?
Rb3 O11 3.206(9) 1_554 ?
Rb3 O6 3.241(7) . ?
Rb3 O14 3.298(8) . ?
Rb3 O4 3.321(7) 1_544 ?
Rb3 O10 3.364(7) 1_554 ?
Rb3 O12 3.458(10) 1_554 ?
Rb3 O13 3.576(8) . ?
Rb3 P1 3.696(3) 1_554 ?
Rb3 P2 3.734(3) 1_554 ?
Ba1 O11 2.609(6) . ?
Ba1 O9 2.657(6) . ?
Ba1 O5 2.686(7) 2_647 ?
Ba1 O2 2.724(7) . ?
Ba1 O1 2.768(6) . ?
Ba1 O8 2.782(5) 2_757 ?
Ba1 O3 2.926(6) . ?
Ba1 O13 3.188(8) . ?
Ba1 P1 3.398(2) 2_757 ?
Ba1 P3 3.497(2) . ?
Ba1 Bi1 4.0837(6) . ?
Ba1 Rb1 4.1305(10) 2_647 ?
Bi1 O12 2.175(7) 1_554 ?
Bi1 O6 2.301(7) . ?
Bi1 O4 2.315(6) 2_747 ?
Bi1 O13 2.361(6) . ?
Bi1 O8 2.383(5) 2_757 ?
Bi1 P4 3.080(2) 2_747 ?
Bi1 Ba1 4.2410(6) 2_747 ?
P1 O9 1.499(6) . ?
P1 O3 1.512(6) 2_747 ?
P1 O8 1.533(6) . ?
P1 O10 1.636(6) . ?
P1 Ba1 3.398(2) 2_747 ?
P1 Rb1 3.591(2) 2_647 ?
P1 Rb3 3.696(3) 1_556 ?
P1 Rb2 3.902(3) 2_746 ?
P1 Rb2 3.909(2) 1_556 ?
P2 O11 1.478(7) . ?
P2 O12 1.502(7) . ?
P2 O6 1.518(7) 2_757 ?
P2 O7 1.604(6) 2_757 ?
P2 Rb3 3.734(3) 1_556 ?
P2 Rb2 3.772(2) 2_757 ?
P2 Rb2 3.870(2) 1_556 ?
P3 O14 1.492(7) . ?
P3 O2 1.503(7) . ?
P3 O13 1.541(6) . ?
P3 O7 1.650(6) 2_756 ?
P3 Rb1 3.493(2) 1_554 ?
P3 Rb1 3.548(2) 2_647 ?
P3 Rb2 3.901(3) 2_756 ?
P3 Rb3 3.967(3) 2_656 ?
P4 O5 1.460(7) . ?
P4 O1 1.497(6) . ?
P4 O4 1.542(7) . ?
P4 O10 1.601(6) 1_565 ?
P4 Bi1 3.080(2) 2_757 ?
P4 Rb3 3.923(3) 1_566 ?
P4 Rb2 3.951(3) 2_756 ?
P4 Rb1 4.030(2) 2_657 ?
O1 Rb2 3.009(7) 2_756 ?
O2 Rb3 2.748(6) 2_656 ?
O2 Rb2 3.404(7) 2_756 ?
O3 P1 1.512(6) 2_757 ?
O3 Rb2 2.958(6) 1_556 ?
O3 Rb1 3.601(6) 1_655 ?
O4 Bi1 2.314(6) 2_757 ?
O4 Rb3 3.321(7) 1_566 ?
O5 Ba1 2.686(7) 2_657 ?
O5 Rb3 3.194(8) 2_656 ?
O6 P2 1.518(7) 2_747 ?
O7 P2 1.604(6) 2_747 ?
O7 P3 1.650(6) 2_746 ?
O7 Rb1 3.019(6) 2_747 ?
O8 Bi1 2.383(5) 2_747 ?
O8 Ba1 2.782(5) 2_747 ?
O8 Rb2 3.530(6) 1_556 ?
O9 Rb3 3.061(7) 1_556 ?
O9 Rb2 3.255(7) 1_556 ?
O9 Rb1 3.608(7) 2_647 ?
O10 P4 1.601(6) 1_545 ?
O10 Rb1 2.889(6) 2_647 ?
O10 Rb3 3.364(7) 1_556 ?
O11 Rb3 3.206(9) 1_556 ?
O12 Bi1 2.175(7) 1_556 ?
O12 Rb2 3.142(7) 1_556 ?
O12 Rb3 3.458(10) 1_556 ?
O13 Rb1 2.851(6) 2_647 ?
O14 Rb1 2.910(7) 1_554 ?
O14 Rb2 2.978(7) 1_455 ?
