#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:33:18 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179021 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/19/4121993.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_4121993
loop_
_publ_author_name
'Zhao, Sangen'
'Gong, Pifu'
'Luo, Siyang'
'Bai, Lei'
'Lin, Zheshuai'
'Ji, Chengmin'
'Chen, Tianliang'
'Hong, Maochun'
'Luo, Junhua'
_publ_section_title
;
 Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2
 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8560
_journal_page_last               8563
_journal_paper_doi               10.1021/ja504319x
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'Ba2 O15 P5 Rb'
_chemical_formula_weight         755.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 128.498(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6814(2)
_cell_length_b                   7.3122(2)
_cell_length_c                   13.8370(4)
_cell_measurement_reflns_used    3189
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.3770
_cell_measurement_theta_min      3.3540
_cell_volume                     687.44(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.5594
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω 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  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            4350
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.79
_diffrn_standards_number         4758
_exptl_absorpt_coefficient_mu    9.874
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.1209
_exptl_crystal_size_mid          0.0853
_exptl_crystal_size_min          0.0422
_refine_diff_density_max         0.932
_refine_diff_density_min         -1.055
_refine_diff_density_rms         0.180
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.050(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2541
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0266
_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)+(0.0267P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0604
_reflns_number_gt                2484
_reflns_number_total             2541
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja504319x_si_002.cif
_cod_data_source_block           e:\rb2\exp_5755
_cod_depositor_comments
'Adding full bibliography for 4121993--4121994.cif.'
_cod_original_cell_volume        687.44(3)
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               4121993
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
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
Ba1 Ba 0.40518(6) 0.62695(5) 0.07717(4) 0.00629(11) Uani 1 1 d
Ba2 Ba 0.99756(5) 0.34151(6) 0.66724(4) 0.00622(11) Uani 1 1 d
Rb1 Rb 0.81298(10) 0.85810(9) 0.78704(7) 0.00449(17) Uani 1 1 d
O10 O 0.1404(8) 0.2117(8) 0.1380(5) 0.0094(12) Uani 1 1 d
P1 P 0.5740(3) 0.6554(3) 0.4079(2) 0.0058(4) Uani 1 1 d
O13 O 0.4325(8) 0.1222(8) 0.3425(6) 0.0136(13) Uani 1 1 d
P4 P 0.2025(3) 0.1580(2) 0.27105(19) 0.0057(4) Uani 1 1 d
P3 P 0.2275(3) 0.1497(3) 0.0689(2) 0.0056(5) Uani 1 1 d
O4 O 0.7511(8) 0.7009(8) 0.4045(6) 0.0160(13) Uani 1 1 d
O1 O 0.6314(8) 0.5045(8) 0.4963(5) 0.0119(12) Uani 1 1 d
P2 P 0.9050(3) 0.6050(3) 0.39549(19) 0.0046(4) Uani 1 1 d
O5 O 1.0127(7) 0.4541(7) 0.4861(5) 0.0089(11) Uani 1 1 d
O9 O 0.0489(7) 0.2261(7) -0.0688(5) 0.0086(11) Uiso 1 1 d
O2 O 0.3926(8) 0.6422(7) 0.2785(6) 0.0122(13) Uani 1 1 d
O6 O 0.8058(8) 0.5611(7) 0.2638(5) 0.0103(12) Uani 1 1 d
O8 O 0.2325(8) -0.0506(7) 0.0618(5) 0.0116(12) Uani 1 1 d
O11 O 0.1040(8) -0.0118(7) 0.2651(5) 0.0095(11) Uani 1 1 d
O12 O 0.1705(8) 0.3255(7) 0.3197(5) 0.0113(12) Uani 1 1 d
O7 O 0.4041(7) 0.2612(7) 0.1156(5) 0.0097(12) Uani 1 1 d
P5 P 0.6188(3) 0.0506(2) 0.47376(18) 0.0049(4) Uani 1 1 d
O15 O 0.7894(7) 0.0848(7) 0.4761(5) 0.0091(12) Uani 1 1 d
O14 O 0.6298(8) 0.1234(7) 0.5782(5) 0.0097(12) Uani 1 1 d
O3 O 0.5765(9) -0.1626(7) 0.4708(6) 0.0069(13) Uiso 1 1 d
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'
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'
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
O14 Ba1 O7 139.63(15) 2_564 .
O14 Ba1 O8 76.90(16) 2_564 1_565
O7 Ba1 O8 142.51(15) . 1_565
O14 Ba1 O6 68.13(16) 2_564 .
O7 Ba1 O6 78.73(15) . .
O8 Ba1 O6 121.84(16) 1_565 .
O14 Ba1 O12 82.69(16) 2_564 2_564
O7 Ba1 O12 106.26(15) . 2_564
O8 Ba1 O12 82.26(16) 1_565 2_564
O6 Ba1 O12 133.97(15) . 2_564
O14 Ba1 O2 116.11(16) 2_564 .
O7 Ba1 O2 80.87(15) . .
O8 Ba1 O2 71.93(15) 1_565 .
O6 Ba1 O2 83.50(15) . .
O12 Ba1 O2 142.39(15) 2_564 .
O14 Ba1 O5 144.13(16) 2_564 2_464
O7 Ba1 O5 74.65(15) . 2_464
O8 Ba1 O5 72.50(16) 1_565 2_464
O6 Ba1 O5 145.69(15) . 2_464
O12 Ba1 O5 75.13(15) 2_564 2_464
O2 Ba1 O5 71.33(15) . 2_464
O14 Ba1 O1 64.47(15) 2_564 2_564
O7 Ba1 O1 80.73(15) . 2_564
O8 Ba1 O1 135.41(15) 1_565 2_564
O6 Ba1 O1 63.68(15) . 2_564
O12 Ba1 O1 71.92(15) 2_564 2_564
O2 Ba1 O1 144.87(15) . 2_564
O5 Ba1 O1 130.84(15) 2_464 2_564
O14 Ba1 Ba2 132.30(11) 2_564 2_464
O7 Ba1 Ba2 84.03(10) . 2_464
O8 Ba1 Ba2 58.72(11) 1_565 2_464
O6 Ba1 Ba2 120.10(11) . 2_464
O12 Ba1 Ba2 105.91(11) 2_564 2_464
O2 Ba1 Ba2 37.01(11) . 2_464
O5 Ba1 Ba2 36.34(11) 2_464 2_464
O1 Ba1 Ba2 163.17(11) 2_564 2_464
O14 Ba1 Rb1 100.11(11) 2_564 1_454
O7 Ba1 Rb1 114.01(11) . 1_454
O8 Ba1 Rb1 47.95(12) 1_565 1_454
O6 Ba1 Rb1 167.26(11) . 1_454
O12 Ba1 Rb1 44.79(11) 2_564 1_454
O2 Ba1 Rb1 98.12(11) . 1_454
O5 Ba1 Rb1 44.78(11) 2_464 1_454
O1 Ba1 Rb1 116.69(11) 2_564 1_454
Ba2 Ba1 Rb1 63.661(12) 2_464 1_454
O14 Ba1 Ba2 41.74(11) 2_564 2_564
O7 Ba1 Ba2 97.98(10) . 2_564
O8 Ba1 Ba2 117.18(11) 1_565 2_564
O6 Ba1 Ba2 36.80(11) . 2_564
O12 Ba1 Ba2 98.44(11) 2_564 2_564
O2 Ba1 Ba2 117.43(11) . 2_564
O5 Ba1 Ba2 168.01(11) 2_464 2_564
O1 Ba1 Ba2 37.38(11) 2_564 2_564
Ba2 Ba1 Ba2 153.994(17) 2_464 2_564
Rb1 Ba1 Ba2 135.605(15) 1_454 2_564
O14 Ba1 Rb1 104.73(11) 2_564 2_564
O7 Ba1 Rb1 37.62(10) . 2_564
O8 Ba1 Rb1 153.28(12) 1_565 2_564
O6 Ba1 Rb1 41.47(11) . 2_564
O12 Ba1 Rb1 124.46(11) 2_564 2_564
O2 Ba1 Rb1 83.97(10) . 2_564
O5 Ba1 Rb1 111.04(11) 2_464 2_564
O1 Ba1 Rb1 63.45(11) 2_564 2_564
Ba2 Ba1 Rb1 107.528(14) 2_464 2_564
Rb1 Ba1 Rb1 151.160(16) 1_454 2_564
Ba2 Ba1 Rb1 63.941(12) 2_564 2_564
O11 Ba2 O5 123.25(16) 2_655 .
O11 Ba2 O2 80.56(15) 2_655 2_665
O5 Ba2 O2 75.16(16) . 2_665
O11 Ba2 O1 132.66(16) 2_655 .
O5 Ba2 O1 76.82(15) . .
O2 Ba2 O1 145.34(16) 2_665 .
O11 Ba2 O6 96.31(16) 2_655 2_565
O5 Ba2 O6 138.40(15) . 2_565
O2 Ba2 O6 128.79(17) 2_665 2_565
O1 Ba2 O6 65.99(15) . 2_565
O11 Ba2 O15 71.68(16) 2_655 .
O5 Ba2 O15 72.84(16) . .
O2 Ba2 O15 113.85(16) 2_665 .
O1 Ba2 O15 76.13(16) . .
O6 Ba2 O15 113.31(15) 2_565 .
O11 Ba2 O12 121.92(16) 2_655 2_665
O5 Ba2 O12 96.55(15) . 2_665
O2 Ba2 O12 70.23(15) 2_665 2_665
O1 Ba2 O12 93.31(16) . 2_665
O6 Ba2 O12 68.75(15) 2_565 2_665
O15 Ba2 O12 166.35(15) . 2_665
O11 Ba2 O14 70.98(15) 2_655 .
O5 Ba2 O14 115.08(15) . .
O2 Ba2 O14 150.77(14) 2_665 .
O1 Ba2 O14 61.83(15) . .
O6 Ba2 O14 62.82(15) 2_565 .
O15 Ba2 O14 51.07(14) . .
O12 Ba2 O14 131.14(14) 2_665 .
O11 Ba2 P5 71.93(12) 2_655 .
O5 Ba2 P5 92.38(12) . .
O2 Ba2 P5 136.52(12) 2_665 .
O1 Ba2 P5 64.26(12) . .
O6 Ba2 P5 87.94(12) 2_565 .
O15 Ba2 P5 25.40(11) . .
O12 Ba2 P5 153.25(11) 2_665 .
O14 Ba2 P5 25.94(11) . .
O11 Ba2 P2 81.51(12) 2_655 2_565
O5 Ba2 P2 155.22(11) . 2_565
O2 Ba2 P2 111.84(13) 2_665 2_565
O1 Ba2 P2 86.59(11) . 2_565
O6 Ba2 P2 20.61(11) 2_565 2_565
O15 Ba2 P2 121.16(11) . 2_565
O12 Ba2 P2 65.80(11) 2_665 2_565
O14 Ba2 P2 71.04(11) . 2_565
P5 Ba2 P2 96.89(5) . 2_565
O11 Ba2 Ba1 96.10(11) 2_655 2_665
O5 Ba2 Ba1 38.65(10) . 2_665
O2 Ba2 Ba1 38.68(13) 2_665 2_665
O1 Ba2 Ba1 115.35(11) . 2_665
O6 Ba2 Ba1 159.70(11) 2_565 2_665
O15 Ba2 Ba1 85.87(10) . 2_665
O12 Ba2 Ba1 91.04(10) 2_665 2_665
O14 Ba2 Ba1 136.89(10) . 2_665
P5 Ba2 Ba1 111.20(3) . 2_665
P2 Ba2 Ba1 149.67(3) 2_565 2_665
O11 Ba2 Ba1 99.48(11) 2_655 2_565
O5 Ba2 Ba1 115.71(11) . 2_565
O2 Ba2 Ba1 165.55(13) 2_665 2_565
O1 Ba2 Ba1 40.20(11) . 2_565
O6 Ba2 Ba1 36.76(11) 2_565 2_565
O15 Ba2 Ba1 79.49(10) . 2_565
O12 Ba2 Ba1 98.14(10) 2_665 2_565
O14 Ba2 Ba1 35.45(10) . 2_565
P5 Ba2 Ba1 55.45(3) . 2_565
P2 Ba2 Ba1 54.24(3) 2_565 2_565
Ba1 Ba2 Ba1 153.994(17) 2_665 2_565
O15 Rb1 O7 92.58(15) 2_565 2_565
O15 Rb1 O11 127.56(15) 2_565 2_665
O7 Rb1 O11 135.83(15) 2_565 2_665
O15 Rb1 O14 120.42(15) 2_565 1_565
O7 Rb1 O14 76.22(15) 2_565 1_565
O11 Rb1 O14 68.11(15) 2_665 1_565
O15 Rb1 O6 103.84(15) 2_565 2_565
O7 Rb1 O6 71.46(15) 2_565 2_565
O11 Rb1 O6 109.36(14) 2_665 2_565
O14 Rb1 O6 125.56(15) 1_565 2_565
O15 Rb1 O5 66.88(14) 2_565 2_565
O7 Rb1 O5 102.94(14) 2_565 2_565
O11 Rb1 O5 109.08(14) 2_665 2_565
O14 Rb1 O5 172.57(14) 1_565 2_565
O6 Rb1 O5 48.09(14) 2_565 2_565
O15 Rb1 O12 124.97(15) 2_565 2_665
O7 Rb1 O12 125.56(15) 2_565 2_665
O11 Rb1 O12 49.10(15) 2_665 2_665
O14 Rb1 O12 107.43(14) 1_565 2_665
O6 Rb1 O12 62.87(13) 2_565 2_665
O5 Rb1 O12 66.87(14) 2_565 2_665
O15 Rb1 O9 71.46(14) 2_565 1_666
O7 Rb1 O9 137.57(14) 2_565 1_666
O11 Rb1 O9 59.26(14) 2_665 1_666
O14 Rb1 O9 78.85(14) 1_565 1_666
O6 Rb1 O9 149.55(14) 2_565 1_666
O5 Rb1 O9 105.88(14) 2_565 1_666
O12 Rb1 O9 94.45(13) 2_665 1_666
O15 Rb1 O8 63.96(14) 2_565 1_666
O7 Rb1 O8 155.20(14) 2_565 1_666
O11 Rb1 O8 68.92(14) 2_665 1_666
O14 Rb1 O8 121.57(14) 1_565 1_666
O6 Rb1 O8 104.91(14) 2_565 1_666
O5 Rb1 O8 61.73(13) 2_565 1_666
O12 Rb1 O8 68.83(14) 2_665 1_666
O9 Rb1 O8 45.31(13) 1_666 1_666
O15 Rb1 O3 148.79(14) 2_565 1_565
O7 Rb1 O3 59.96(14) 2_565 1_565
O11 Rb1 O3 76.15(15) 2_665 1_565
O14 Rb1 O3 43.31(13) 1_565 1_565
O6 Rb1 O3 82.42(13) 2_565 1_565
O5 Rb1 O3 129.83(13) 2_565 1_565
O12 Rb1 O3 85.37(14) 2_665 1_565
O9 Rb1 O3 117.67(13) 1_666 1_565
O8 Rb1 O3 144.81(13) 1_666 1_565
O15 Rb1 P4 134.39(11) 2_565 2_665
O7 Rb1 P4 131.93(11) 2_565 2_665
O11 Rb1 P4 24.40(11) 2_665 2_665
O14 Rb1 P4 85.11(11) 1_565 2_665
O6 Rb1 P4 85.30(10) 2_565 2_665
O5 Rb1 P4 90.20(10) 2_565 2_665
O12 Rb1 P4 25.25(10) 2_665 2_665
O9 Rb1 P4 78.53(10) 1_666 2_665
O8 Rb1 P4 70.48(10) 1_666 2_665
O3 Rb1 P4 76.03(11) 1_565 2_665
O15 Rb1 P2 82.85(11) 2_565 2_565
O7 Rb1 P2 84.21(11) 2_565 2_565
O11 Rb1 P2 114.90(11) 2_665 2_565
O14 Rb1 P2 149.74(11) 1_565 2_565
O6 Rb1 P2 24.28(11) 2_565 2_565
O5 Rb1 P2 24.36(10) 2_565 2_565
O12 Rb1 P2 66.06(10) 2_665 2_565
O9 Rb1 P2 129.86(10) 1_666 2_565
O8 Rb1 P2 84.86(10) 1_666 2_565
O3 Rb1 P2 106.70(9) 1_565 2_565
P4 Rb1 P2 91.28(5) 2_665 2_565
P3 O10 P4 131.5(4) . .
O2 P1 O1 120.5(3) . .
O2 P1 O3 111.1(3) . 1_565
O1 P1 O3 106.8(3) . 1_565
O2 P1 O4 107.3(3) . .
O1 P1 O4 110.0(3) . .
O3 P1 O4 99.0(3) 1_565 .
P5 O13 P4 138.4(4) . .
O11 P4 O12 116.5(3) . .
O11 P4 O13 110.6(3) . .
O12 P4 O13 111.2(3) . .
O11 P4 O10 111.7(3) . .
O12 P4 O10 106.8(3) . .
O13 P4 O10 98.4(3) . .
O11 P4 Rb1 55.4(2) . 2_464
O12 P4 Rb1 63.1(2) . 2_464
O13 P4 Rb1 146.1(2) . 2_464
O10 P4 Rb1 115.3(2) . 2_464
O8 P3 O7 120.7(3) . .
O8 P3 O10 111.4(3) . .
O7 P3 O10 109.1(3) . .
O8 P3 O9 108.0(3) . .
O7 P3 O9 107.0(3) . .
O10 P3 O9 98.1(3) . .
O8 P3 Rb1 55.7(2) . 1_444
O7 P3 Rb1 142.7(2) . 1_444
O10 P3 Rb1 105.4(2) . 1_444
O9 P3 Rb1 53.6(2) . 1_444
O8 P3 Rb1 87.7(2) . 2_564
O7 P3 Rb1 36.1(2) . 2_564
O10 P3 Rb1 113.8(2) . 2_564
O9 P3 Rb1 136.5(2) . 2_564
Rb1 P3 Rb1 134.23(5) 1_444 2_564
P2 O4 P1 141.6(4) . .
P1 O1 Ba2 129.7(3) . .
P1 O1 Ba1 126.2(3) . 2_565
Ba2 O1 Ba1 102.42(17) . 2_565
O5 P2 O6 117.0(3) . .
O5 P2 O4 112.4(3) . .
O6 P2 O4 108.6(3) . .
O5 P2 O9 110.6(3) . 2_665
O6 P2 O9 106.8(3) . 2_665
O4 P2 O9 99.7(3) . 2_665
O5 P2 Rb1 60.7(2) . 2_564
O6 P2 Rb1 58.4(2) . 2_564
O4 P2 Rb1 118.2(2) . 2_564
O9 P2 Rb1 141.7(2) 2_665 2_564
O5 P2 Ba2 116.0(2) . 2_564
O6 P2 Ba2 41.5(2) . 2_564
O4 P2 Ba2 131.1(2) . 2_564
O9 P2 Ba2 69.0(2) 2_665 2_564
Rb1 P2 Ba2 81.61(4) 2_564 2_564
P2 O5 Ba2 129.6(3) . .
P2 O5 Ba1 118.5(3) . 2_665
Ba2 O5 Ba1 105.00(17) . 2_665
P2 O5 Rb1 94.9(2) . 2_564
Ba2 O5 Rb1 105.76(16) . 2_564
Ba1 O5 Rb1 95.25(15) 2_665 2_564
P2 O9 P3 128.0(4) 2_464 .
P2 O9 Rb1 112.4(2) 2_464 1_444
P3 O9 Rb1 102.3(2) . 1_444
P1 O2 Ba2 133.8(3) . 2_464
P1 O2 Ba1 121.7(3) . .
Ba2 O2 Ba1 104.31(19) 2_464 .
P2 O6 Ba1 122.2(3) . .
P2 O6 Ba2 117.9(3) . 2_564
Ba1 O6 Ba2 106.43(18) . 2_564
P2 O6 Rb1 97.4(3) . 2_564
Ba1 O6 Rb1 101.56(16) . 2_564
Ba2 O6 Rb1 108.89(17) 2_564 2_564
P3 O8 Ba1 153.2(3) . 1_545
P3 O8 Rb1 102.8(3) . 1_444
Ba1 O8 Rb1 94.22(15) 1_545 1_444
P4 O11 Ba2 143.3(3) . 2_454
P4 O11 Rb1 100.2(3) . 2_464
Ba2 O11 Rb1 110.66(18) 2_454 2_464
P4 O12 Ba1 118.5(3) . 2_565
P4 O12 Ba2 120.4(3) . 2_464
Ba1 O12 Ba2 116.65(18) 2_565 2_464
P4 O12 Rb1 91.6(2) . 2_464
Ba1 O12 Rb1 96.11(15) 2_565 2_464
Ba2 O12 Rb1 103.44(16) 2_464 2_464
P3 O7 Ba1 125.6(3) . .
P3 O7 Rb1 126.5(3) . 2_564
Ba1 O7 Rb1 107.56(17) . 2_564
O15 P5 O14 117.4(3) . .
O15 P5 O13 105.2(3) . .
O14 P5 O13 113.3(3) . .
O15 P5 O3 112.1(3) . .
O14 P5 O3 104.4(3) . .
O13 P5 O3 103.7(3) . .
O15 P5 Ba2 54.1(2) . .
O14 P5 Ba2 64.2(2) . .
O13 P5 Ba2 119.4(2) . .
O3 P5 Ba2 136.6(3) . .
O15 P5 Rb1 108.0(2) . 1_545
O14 P5 Rb1 46.4(2) . 1_545
O13 P5 Rb1 146.7(2) . 1_545
O3 P5 Rb1 66.4(2) . 1_545
Ba2 P5 Rb1 78.99(4) . 1_545
O15 P5 Rb1 32.0(2) . 2_564
O14 P5 Rb1 141.8(2) . 2_564
O13 P5 Rb1 75.0(2) . 2_564
O3 P5 Rb1 109.6(2) . 2_564
Ba2 P5 Rb1 79.09(4) . 2_564
Rb1 P5 Rb1 138.18(5) 1_545 2_564
P5 O15 Rb1 131.5(3) . 2_564
P5 O15 Ba2 100.5(3) . .
Rb1 O15 Ba2 113.97(17) 2_564 .
P5 O14 Ba1 129.5(3) . 2_565
P5 O14 Rb1 112.4(3) . 1_545
Ba1 O14 Rb1 113.40(19) 2_565 1_545
P5 O14 Ba2 89.9(2) . .
Ba1 O14 Ba2 102.81(16) 2_565 .
Rb1 O14 Ba2 98.93(15) 1_545 .
P1 O3 P5 139.4(4) 1_545 .
P1 O3 Rb1 121.4(3) 1_545 1_545
P5 O3 Rb1 88.8(2) . 1_545
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ba1 O14 2.665(5) 2_564
Ba1 O7 2.728(5) .
Ba1 O8 2.730(5) 1_565
Ba1 O6 2.796(5) .
Ba1 O12 2.816(6) 2_564
Ba1 O2 2.857(6) .
Ba1 O5 2.864(5) 2_464
Ba1 O1 2.961(5) 2_564
Ba1 Ba2 4.4294(6) 2_464
Ba1 Rb1 4.4395(9) 1_454
Ba1 Ba2 4.4805(6) 2_564
Ba1 Rb1 4.5549(9) 2_564
Ba2 O11 2.635(6) 2_655
Ba2 O5 2.718(5) .
Ba2 O2 2.752(6) 2_665
Ba2 O1 2.785(6) .
Ba2 O6 2.798(5) 2_565
Ba2 O15 2.799(5) .
Ba2 O12 2.948(5) 2_665
Ba2 O14 3.059(5) .
Ba2 P5 3.3976(19) .
Ba2 P2 3.733(2) 2_565
Ba2 Ba1 4.4294(6) 2_665
Ba2 Ba1 4.4805(6) 2_565
Rb1 O15 2.779(6) 2_565
Rb1 O7 2.916(5) 2_565
Rb1 O11 2.948(5) 2_665
Rb1 O14 2.987(5) 1_565
Rb1 O6 3.079(5) 2_565
Rb1 O5 3.140(5) 2_565
Rb1 O12 3.146(5) 2_665
Rb1 O9 3.214(6) 1_666
Rb1 O8 3.306(6) 1_666
Rb1 O3 3.494(6) 1_565
Rb1 P4 3.525(2) 2_665
Rb1 P2 3.587(2) 2_565
O10 P3 1.609(5) .
O10 P4 1.613(6) .
P1 O2 1.478(6) .
P1 O1 1.484(6) .
P1 O3 1.583(6) 1_565
P1 O4 1.602(5) .
O13 P5 1.591(6) .
O13 P4 1.605(6) .
P4 O11 1.480(6) .
P4 O12 1.504(6) .
P4 Rb1 3.525(2) 2_464
P3 O8 1.470(5) .
P3 O7 1.483(6) .
P3 O9 1.634(6) .
P3 Rb1 3.903(2) 1_444
P3 Rb1 3.981(2) 2_564
O4 P2 1.581(5) .
O1 Ba1 2.961(5) 2_565
P2 O5 1.485(6) .
P2 O6 1.487(6) .
P2 O9 1.601(6) 2_665
P2 Rb1 3.587(2) 2_564
P2 Ba2 3.733(2) 2_564
O5 Ba1 2.864(5) 2_665
O5 Rb1 3.140(5) 2_564
O9 P2 1.601(6) 2_464
O9 Rb1 3.214(5) 1_444
O2 Ba2 2.752(6) 2_464
O6 Ba2 2.798(5) 2_564
O6 Rb1 3.079(5) 2_564
O8 Ba1 2.730(5) 1_545
O8 Rb1 3.306(6) 1_444
O11 Ba2 2.635(5) 2_454
O11 Rb1 2.948(5) 2_464
O12 Ba1 2.816(6) 2_565
O12 Ba2 2.948(5) 2_464
O12 Rb1 3.146(5) 2_464
O7 Rb1 2.916(5) 2_564
P5 O15 1.482(5) .
P5 O14 1.486(6) .
P5 O3 1.597(5) .
P5 Rb1 3.810(2) 1_545
P5 Rb1 3.922(2) 2_564
O15 Rb1 2.779(6) 2_564
O14 Ba1 2.665(5) 2_565
O14 Rb1 2.987(5) 1_545
O3 P1 1.583(6) 1_545
O3 Rb1 3.494(6) 1_545
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
P5 O13 P4 O11 -57.5(6) . .
P5 O13 P4 O12 73.7(6) . .
P5 O13 P4 O10 -174.6(5) . .
P5 O13 P4 Rb1 0.6(9) . 2_464
P3 O10 P4 O11 -86.2(5) . .
P3 O10 P4 O12 145.3(5) . .
P3 O10 P4 O13 30.0(5) . .
P3 O10 P4 Rb1 -147.0(4) . 2_464
P4 O10 P3 O8 53.9(6) . .
P4 O10 P3 O7 -81.9(5) . .
P4 O10 P3 O9 166.9(5) . .
P4 O10 P3 Rb1 112.5(4) . 1_444
P4 O10 P3 Rb1 -43.3(5) . 2_564
O2 P1 O4 P2 -86.0(7) . .
O1 P1 O4 P2 46.8(8) . .
O3 P1 O4 P2 158.5(7) 1_565 .
O2 P1 O1 Ba2 135.0(4) . .
O3 P1 O1 Ba2 -97.1(4) 1_565 .
O4 P1 O1 Ba2 9.4(5) . .
O2 P1 O1 Ba1 -62.5(5) . 2_565
O3 P1 O1 Ba1 65.5(4) 1_565 2_565
O4 P1 O1 Ba1 172.0(3) . 2_565
O11 Ba2 O1 P1 -152.4(3) 2_655 .
O5 Ba2 O1 P1 -29.0(4) . .
O2 Ba2 O1 P1 7.8(6) 2_665 .
O6 Ba2 O1 P1 131.9(4) 2_565 .
O15 Ba2 O1 P1 -104.3(4) . .
O12 Ba2 O1 P1 67.0(4) 2_665 .
O14 Ba2 O1 P1 -157.2(5) . .
P5 Ba2 O1 P1 -128.2(4) . .
P2 Ba2 O1 P1 132.5(4) 2_565 .
Ba1 Ba2 O1 P1 -25.7(4) 2_665 .
Ba1 Ba2 O1 P1 165.7(5) 2_565 .
O11 Ba2 O1 Ba1 42.0(3) 2_655 2_565
O5 Ba2 O1 Ba1 165.3(2) . 2_565
O2 Ba2 O1 Ba1 -157.9(2) 2_665 2_565
O6 Ba2 O1 Ba1 -33.74(15) 2_565 2_565
O15 Ba2 O1 Ba1 90.06(18) . 2_565
O12 Ba2 O1 Ba1 -98.71(17) 2_665 2_565
O14 Ba2 O1 Ba1 37.07(15) . 2_565
P5 Ba2 O1 Ba1 66.11(13) . 2_565
P2 Ba2 O1 Ba1 -33.21(14) 2_565 2_565
Ba1 Ba2 O1 Ba1 168.57(9) 2_665 2_565
P1 O4 P2 O5 -50.3(8) . .
P1 O4 P2 O6 80.9(7) . .
P1 O4 P2 O9 -167.6(7) . 2_665
P1 O4 P2 Rb1 17.4(8) . 2_564
P1 O4 P2 Ba2 121.8(6) . 2_564
O6 P2 O5 Ba2 -131.2(4) . .
O4 P2 O5 Ba2 -4.3(5) . .
O9 P2 O5 Ba2 106.2(4) 2_665 .
Rb1 P2 O5 Ba2 -115.1(4) 2_564 .
Ba2 P2 O5 Ba2 -177.8(2) 2_564 .
O6 P2 O5 Ba1 82.7(4) . 2_665
O4 P2 O5 Ba1 -150.5(3) . 2_665
O9 P2 O5 Ba1 -40.0(4) 2_665 2_665
Rb1 P2 O5 Ba1 98.7(3) 2_564 2_665
Ba2 P2 O5 Ba1 36.0(3) 2_564 2_665
O6 P2 O5 Rb1 -16.0(3) . 2_564
O4 P2 O5 Rb1 110.8(3) . 2_564
O9 P2 O5 Rb1 -138.7(2) 2_665 2_564
Ba2 P2 O5 Rb1 -62.64(19) 2_564 2_564
O11 Ba2 O5 P2 158.5(3) 2_655 .
O2 Ba2 O5 P2 -133.6(4) 2_665 .
O1 Ba2 O5 P2 25.7(4) . .
O6 Ba2 O5 P2 -1.0(5) 2_565 .
O15 Ba2 O5 P2 105.1(4) . .
O12 Ba2 O5 P2 -66.1(4) 2_665 .
O14 Ba2 O5 P2 75.6(4) . .
P5 Ba2 O5 P2 88.6(4) . .
P2 Ba2 O5 P2 -23.5(6) 2_565 .
Ba1 Ba2 O5 P2 -149.6(5) 2_665 .
Ba1 Ba2 O5 P2 36.2(4) 2_565 .
O11 Ba2 O5 Ba1 -51.9(2) 2_655 2_665
O2 Ba2 O5 Ba1 15.92(15) 2_665 2_665
O1 Ba2 O5 Ba1 175.3(2) . 2_665
O6 Ba2 O5 Ba1 148.59(18) 2_565 2_665
O15 Ba2 O5 Ba1 -105.38(19) . 2_665
O12 Ba2 O5 Ba1 83.42(18) 2_665 2_665
O14 Ba2 O5 Ba1 -134.86(15) . 2_665
P5 Ba2 O5 Ba1 -121.83(14) . 2_665
P2 Ba2 O5 Ba1 126.1(2) 2_565 2_665
Ba1 Ba2 O5 Ba1 -174.24(9) 2_565 2_665
O11 Ba2 O5 Rb1 48.1(2) 2_655 2_564
O2 Ba2 O5 Rb1 115.94(18) 2_665 2_564
O1 Ba2 O5 Rb1 -84.68(17) . 2_564
O6 Ba2 O5 Rb1 -111.4(2) 2_565 2_564
O15 Ba2 O5 Rb1 -5.36(15) . 2_564
O12 Ba2 O5 Rb1 -176.56(16) 2_665 2_564
O14 Ba2 O5 Rb1 -34.8(2) . 2_564
P5 Ba2 O5 Rb1 -21.81(13) . 2_564
P2 Ba2 O5 Rb1 -133.92(19) 2_565 2_564
Ba1 Ba2 O5 Rb1 100.0(2) 2_665 2_564
Ba1 Ba2 O5 Rb1 -74.22(15) 2_565 2_564
O8 P3 O9 P2 144.2(4) . 2_464
O7 P3 O9 P2 -84.4(5) . 2_464
O10 P3 O9 P2 28.5(5) . 2_464
Rb1 P3 O9 P2 131.7(5) 1_444 2_464
Rb1 P3 O9 P2 -109.6(4) 2_564 2_464
O8 P3 O9 Rb1 12.5(3) . 1_444
O7 P3 O9 Rb1 143.9(2) . 1_444
O10 P3 O9 Rb1 -103.2(3) . 1_444
Rb1 P3 O9 Rb1 118.8(2) 2_564 1_444
O1 P1 O2 Ba2 71.6(5) . 2_464
O3 P1 O2 Ba2 -54.4(5) 1_565 2_464
O4 P1 O2 Ba2 -161.5(4) . 2_464
O1 P1 O2 Ba1 -115.1(4) . .
O3 P1 O2 Ba1 118.9(3) 1_565 .
O4 P1 O2 Ba1 11.7(4) . .
O14 Ba1 O2 P1 -48.5(4) 2_564 .
O7 Ba1 O2 P1 92.8(3) . .
O8 Ba1 O2 P1 -113.3(3) 1_565 .
O6 Ba1 O2 P1 13.2(3) . .
O12 Ba1 O2 P1 -162.3(3) 2_564 .
O5 Ba1 O2 P1 169.6(4) 2_464 .
O1 Ba1 O2 P1 33.6(5) 2_564 .
Ba2 Ba1 O2 P1 -175.0(4) 2_464 .
Rb1 Ba1 O2 P1 -154.0(3) 1_454 .
Ba2 Ba1 O2 P1 -1.5(4) 2_564 .
Rb1 Ba1 O2 P1 55.0(3) 2_564 .
O14 Ba1 O2 Ba2 126.50(17) 2_564 2_464
O7 Ba1 O2 Ba2 -92.18(17) . 2_464
O8 Ba1 O2 Ba2 61.68(17) 1_565 2_464
O6 Ba1 O2 Ba2 -171.75(18) . 2_464
O12 Ba1 O2 Ba2 12.7(3) 2_564 2_464
O5 Ba1 O2 Ba2 -15.39(14) 2_464 2_464
O1 Ba1 O2 Ba2 -151.4(2) 2_564 2_464
Rb1 Ba1 O2 Ba2 20.99(15) 1_454 2_464
Ba2 Ba1 O2 Ba2 173.52(8) 2_564 2_464
Rb1 Ba1 O2 Ba2 -130.02(14) 2_564 2_464
O5 P2 O6 Ba1 125.1(3) . .
O4 P2 O6 Ba1 -3.6(4) . .
O9 P2 O6 Ba1 -110.3(3) 2_665 .
Rb1 P2 O6 Ba1 108.7(3) 2_564 .
Ba2 P2 O6 Ba1 -135.4(5) 2_564 .
O5 P2 O6 Ba2 -99.5(3) . 2_564
O4 P2 O6 Ba2 131.8(3) . 2_564
O9 P2 O6 Ba2 25.0(4) 2_665 2_564
Rb1 P2 O6 Ba2 -116.0(3) 2_564 2_564
O5 P2 O6 Rb1 16.4(3) . 2_564
O4 P2 O6 Rb1 -112.2(3) . 2_564
O9 P2 O6 Rb1 141.0(2) 2_665 2_564
Ba2 P2 O6 Rb1 116.0(3) 2_564 2_564
O14 Ba1 O6 P2 103.3(3) 2_564 .
O7 Ba1 O6 P2 -100.2(3) . .
O8 Ba1 O6 P2 45.8(4) 1_565 .
O12 Ba1 O6 P2 158.0(3) 2_564 .
O2 Ba1 O6 P2 -18.2(3) . .
O5 Ba1 O6 P2 -60.6(5) 2_464 .
O1 Ba1 O6 P2 174.7(4) 2_564 .
Ba2 Ba1 O6 P2 -23.9(4) 2_464 .
Rb1 Ba1 O6 P2 79.9(6) 1_454 .
Ba2 Ba1 O6 P2 139.7(4) 2_564 .
Rb1 Ba1 O6 P2 -106.5(4) 2_564 .
O14 Ba1 O6 Ba2 -36.33(17) 2_564 2_564
O7 Ba1 O6 Ba2 120.2(2) . 2_564
O8 Ba1 O6 Ba2 -93.9(2) 1_565 2_564
O12 Ba1 O6 Ba2 18.4(3) 2_564 2_564
O2 Ba1 O6 Ba2 -157.87(18) . 2_564
O5 Ba1 O6 Ba2 159.8(2) 2_464 2_564
O1 Ba1 O6 Ba2 35.04(16) 2_564 2_564
Ba2 Ba1 O6 Ba2 -163.60(9) 2_464 2_564
Rb1 Ba1 O6 Ba2 -59.8(6) 1_454 2_564
Rb1 Ba1 O6 Ba2 113.9(2) 2_564 2_564
O14 Ba1 O6 Rb1 -150.2(2) 2_564 2_564
O7 Ba1 O6 Rb1 6.30(14) . 2_564
O8 Ba1 O6 Rb1 152.25(15) 1_565 2_564
O12 Ba1 O6 Rb1 -95.5(2) 2_564 2_564
O2 Ba1 O6 Rb1 88.25(16) . 2_564
O5 Ba1 O6 Rb1 45.9(3) 2_464 2_564
O1 Ba1 O6 Rb1 -78.84(18) 2_564 2_564
Ba2 Ba1 O6 Rb1 82.52(15) 2_464 2_564
Rb1 Ba1 O6 Rb1 -173.7(4) 1_454 2_564
Ba2 Ba1 O6 Rb1 -113.9(2) 2_564 2_564
O7 P3 O8 Ba1 -7.6(10) . 1_545
O10 P3 O8 Ba1 -137.5(7) . 1_545
O9 P3 O8 Ba1 115.8(7) . 1_545
Rb1 P3 O8 Ba1 128.0(8) 1_444 1_545
Rb1 P3 O8 Ba1 -22.8(7) 2_564 1_545
O7 P3 O8 Rb1 -135.6(3) . 1_444
O10 P3 O8 Rb1 94.5(3) . 1_444
O9 P3 O8 Rb1 -12.2(3) . 1_444
Rb1 P3 O8 Rb1 -150.80(15) 2_564 1_444
O12 P4 O11 Ba2 163.8(4) . 2_454
O13 P4 O11 Ba2 -67.9(6) . 2_454
O10 P4 O11 Ba2 40.7(6) . 2_454
Rb1 P4 O11 Ba2 147.2(6) 2_464 2_454
O12 P4 O11 Rb1 16.5(4) . 2_464
O13 P4 O11 Rb1 144.9(3) . 2_464
O10 P4 O11 Rb1 -106.6(3) . 2_464
O11 P4 O12 Ba1 82.6(4) . 2_565
O13 P4 O12 Ba1 -45.4(4) . 2_565
O10 P4 O12 Ba1 -151.8(3) . 2_565
Rb1 P4 O12 Ba1 97.8(3) 2_464 2_565
O11 P4 O12 Ba2 -121.9(3) . 2_464
O13 P4 O12 Ba2 110.1(3) . 2_464
O10 P4 O12 Ba2 3.8(4) . 2_464
Rb1 P4 O12 Ba2 -106.6(3) 2_464 2_464
O11 P4 O12 Rb1 -15.2(3) . 2_464
O13 P4 O12 Rb1 -143.3(3) . 2_464
O10 P4 O12 Rb1 110.4(2) . 2_464
O8 P3 O7 Ba1 161.3(3) . .
O10 P3 O7 Ba1 -67.7(4) . .
O9 P3 O7 Ba1 37.5(4) . .
Rb1 P3 O7 Ba1 88.9(4) 1_444 .
Rb1 P3 O7 Ba1 -172.3(6) 2_564 .
O8 P3 O7 Rb1 -26.4(5) . 2_564
O10 P3 O7 Rb1 104.5(4) . 2_564
O9 P3 O7 Rb1 -150.3(3) . 2_564
Rb1 P3 O7 Rb1 -98.8(4) 1_444 2_564
O14 Ba1 O7 P3 -158.5(3) 2_564 .
O8 Ba1 O7 P3 38.0(5) 1_565 .
O6 Ba1 O7 P3 166.6(4) . .
O12 Ba1 O7 P3 -60.6(4) 2_564 .
O2 Ba1 O7 P3 81.5(4) . .
O5 Ba1 O7 P3 8.5(3) 2_464 .
O1 Ba1 O7 P3 -128.5(4) 2_564 .
Ba2 Ba1 O7 P3 44.3(3) 2_464 .
Rb1 Ba1 O7 P3 -13.4(4) 1_454 .
Ba2 Ba1 O7 P3 -161.8(3) 2_564 .
Rb1 Ba1 O7 P3 173.5(5) 2_564 .
O14 Ba1 O7 Rb1 28.0(3) 2_564 2_564
O8 Ba1 O7 Rb1 -135.4(2) 1_565 2_564
O6 Ba1 O7 Rb1 -6.84(16) . 2_564
O12 Ba1 O7 Rb1 125.95(17) 2_564 2_564
O2 Ba1 O7 Rb1 -91.96(18) . 2_564
O5 Ba1 O7 Rb1 -164.98(19) 2_464 2_564
O1 Ba1 O7 Rb1 57.98(17) 2_564 2_564
Ba2 Ba1 O7 Rb1 -129.18(15) 2_464 2_564
Rb1 Ba1 O7 Rb1 173.16(10) 1_454 2_564
Ba2 Ba1 O7 Rb1 24.69(16) 2_564 2_564
P4 O13 P5 O15 -171.4(5) . .
P4 O13 P5 O14 -41.9(7) . .
P4 O13 P5 O3 70.7(6) . .
P4 O13 P5 Ba2 -114.4(5) . .
P4 O13 P5 Rb1 2.9(9) . 1_545
P4 O13 P5 Rb1 177.7(6) . 2_564
O11 Ba2 P5 O15 -85.2(3) 2_655 .
O5 Ba2 P5 O15 39.1(3) . .
O2 Ba2 P5 O15 -31.7(3) 2_665 .
O1 Ba2 P5 O15 113.3(3) . .
O6 Ba2 P5 O15 177.5(3) 2_565 .
O12 Ba2 P5 O15 148.8(3) 2_665 .
O14 Ba2 P5 O15 -168.7(4) . .
P2 Ba2 P5 O15 -163.9(3) 2_565 .
Ba1 Ba2 P5 O15 4.4(3) 2_665 .
Ba1 Ba2 P5 O15 159.0(3) 2_565 .
O11 Ba2 P5 O14 83.5(3) 2_655 .
O5 Ba2 P5 O14 -152.2(3) . .
O2 Ba2 P5 O14 137.0(3) 2_665 .
O1 Ba2 P5 O14 -78.0(3) . .
O6 Ba2 P5 O14 -13.8(3) 2_565 .
O15 Ba2 P5 O14 168.7(4) . .
O12 Ba2 P5 O14 -42.5(3) 2_665 .
P2 Ba2 P5 O14 4.8(2) 2_565 .
Ba1 Ba2 P5 O14 173.1(2) 2_665 .
Ba1 Ba2 P5 O14 -32.3(2) 2_565 .
O11 Ba2 P5 O13 -173.0(3) 2_655 .
O5 Ba2 P5 O13 -48.7(3) . .
O2 Ba2 P5 O13 -119.5(3) 2_665 .
O1 Ba2 P5 O13 25.4(3) . .
O6 Ba2 P5 O13 89.6(3) 2_565 .
O15 Ba2 P5 O13 -87.8(4) . .
O12 Ba2 P5 O13 60.9(4) 2_665 .
O14 Ba2 P5 O13 103.4(3) . .
P2 Ba2 P5 O13 108.2(3) 2_565 .
Ba1 Ba2 P5 O13 -83.4(2) 2_665 .
Ba1 Ba2 P5 O13 71.2(2) 2_565 .
O11 Ba2 P5 O3 -0.3(4) 2_655 .
O5 Ba2 P5 O3 124.0(4) . .
O2 Ba2 P5 O3 53.2(4) 2_665 .
O1 Ba2 P5 O3 -161.8(4) . .
O6 Ba2 P5 O3 -97.6(4) 2_565 .
O15 Ba2 P5 O3 84.9(4) . .
O12 Ba2 P5 O3 -126.3(4) 2_665 .
O14 Ba2 P5 O3 -83.8(4) . .
P2 Ba2 P5 O3 -79.0(3) 2_565 .
Ba1 Ba2 P5 O3 89.3(3) 2_665 .
Ba1 Ba2 P5 O3 -116.1(3) 2_565 .
O11 Ba2 P5 Rb1 36.80(12) 2_655 1_545
O5 Ba2 P5 Rb1 161.11(11) . 1_545
O2 Ba2 P5 Rb1 90.31(18) 2_665 1_545
O1 Ba2 P5 Rb1 -124.75(12) . 1_545
O6 Ba2 P5 Rb1 -60.52(11) 2_565 1_545
O15 Ba2 P5 Rb1 122.0(3) . 1_545
O12 Ba2 P5 Rb1 -89.2(3) 2_665 1_545
O14 Ba2 P5 Rb1 -46.7(2) . 1_545
P2 Ba2 P5 Rb1 -41.91(4) 2_565 1_545
Ba1 Ba2 P5 Rb1 126.42(2) 2_665 1_545
Ba1 Ba2 P5 Rb1 -78.98(3) 2_565 1_545
O11 Ba2 P5 Rb1 -107.36(12) 2_655 2_564
O5 Ba2 P5 Rb1 16.95(11) . 2_564
O2 Ba2 P5 Rb1 -53.86(18) 2_665 2_564
O1 Ba2 P5 Rb1 91.09(12) . 2_564
O6 Ba2 P5 Rb1 155.32(11) 2_565 2_564
O15 Ba2 P5 Rb1 -22.2(3) . 2_564
O12 Ba2 P5 Rb1 126.6(2) 2_665 2_564
O14 Ba2 P5 Rb1 169.1(2) . 2_564
P2 Ba2 P5 Rb1 173.93(4) 2_565 2_564
Ba1 Ba2 P5 Rb1 -17.74(4) 2_665 2_564
Ba1 Ba2 P5 Rb1 136.86(4) 2_565 2_564
O14 P5 O15 Rb1 -147.2(3) . 2_564
O13 P5 O15 Rb1 -20.1(4) . 2_564
O3 P5 O15 Rb1 91.9(4) . 2_564
Ba2 P5 O15 Rb1 -135.7(4) . 2_564
Rb1 P5 O15 Rb1 163.2(3) 1_545 2_564
O14 P5 O15 Ba2 -11.4(4) . .
O13 P5 O15 Ba2 115.6(3) . .
O3 P5 O15 Ba2 -132.3(3) . .
Rb1 P5 O15 Ba2 -61.1(2) 1_545 .
Rb1 P5 O15 Ba2 135.7(4) 2_564 .
O11 Ba2 O15 P5 86.3(3) 2_655 .
O5 Ba2 O15 P5 -138.7(3) . .
O2 Ba2 O15 P5 156.7(2) 2_665 .
O1 Ba2 O15 P5 -58.5(3) . .
O6 Ba2 O15 P5 -2.7(3) 2_565 .
O12 Ba2 O15 P5 -98.6(6) 2_665 .
O14 Ba2 O15 P5 6.3(2) . .
P2 Ba2 O15 P5 18.8(3) 2_565 .
Ba1 Ba2 O15 P5 -175.9(2) 2_665 .
Ba1 Ba2 O15 P5 -17.5(2) 2_565 .
O11 Ba2 O15 Rb1 -128.6(2) 2_655 2_564
O5 Ba2 O15 Rb1 6.38(17) . 2_564
O2 Ba2 O15 Rb1 -58.2(2) 2_665 2_564
O1 Ba2 O15 Rb1 86.6(2) . 2_564
O6 Ba2 O15 Rb1 142.37(18) 2_565 2_564
O12 Ba2 O15 Rb1 46.5(7) 2_665 2_564
O14 Ba2 O15 Rb1 151.4(3) . 2_564
P5 Ba2 O15 Rb1 145.1(4) . 2_564
P2 Ba2 O15 Rb1 163.87(11) 2_565 2_564
Ba1 Ba2 O15 Rb1 -30.76(15) 2_665 2_564
Ba1 Ba2 O15 Rb1 127.66(17) 2_565 2_564
O15 P5 O14 Ba1 116.9(4) . 2_565
O13 P5 O14 Ba1 -6.1(5) . 2_565
O3 P5 O14 Ba1 -118.3(4) . 2_565
Ba2 P5 O14 Ba1 106.6(3) . 2_565
Rb1 P5 O14 Ba1 -153.8(5) 1_545 2_565
Rb1 P5 O14 Ba1 89.1(4) 2_564 2_565
O15 P5 O14 Rb1 -89.3(3) . 1_545
O13 P5 O14 Rb1 147.7(3) . 1_545
O3 P5 O14 Rb1 35.5(3) . 1_545
Ba2 P5 O14 Rb1 -99.6(2) . 1_545
Rb1 P5 O14 Rb1 -117.0(3) 2_564 1_545
O15 P5 O14 Ba2 10.3(3) . .
O13 P5 O14 Ba2 -112.7(3) . .
O3 P5 O14 Ba2 135.1(3) . .
Rb1 P5 O14 Ba2 99.6(2) 1_545 .
Rb1 P5 O14 Ba2 -17.4(4) 2_564 .
O11 Ba2 O14 P5 -87.6(2) 2_655 .
O5 Ba2 O14 P5 31.0(3) . .
O2 Ba2 O14 P5 -73.9(4) 2_665 .
O1 Ba2 O14 P5 88.6(3) . .
O6 Ba2 O14 P5 164.5(3) 2_565 .
O15 Ba2 O14 P5 -6.2(2) . .
O12 Ba2 O14 P5 156.2(2) 2_665 .
P2 Ba2 O14 P5 -175.0(2) 2_565 .
Ba1 Ba2 O14 P5 -9.4(3) 2_665 .
Ba1 Ba2 O14 P5 130.7(3) 2_565 .
O11 Ba2 O14 Ba1 141.7(2) 2_655 2_565
O5 Ba2 O14 Ba1 -99.71(19) . 2_565
O2 Ba2 O14 Ba1 155.4(3) 2_665 2_565
O1 Ba2 O14 Ba1 -42.13(17) . 2_565
O6 Ba2 O14 Ba1 33.75(16) 2_565 2_565
O15 Ba2 O14 Ba1 -136.9(3) . 2_565
O12 Ba2 O14 Ba1 25.5(3) 2_665 2_565
P5 Ba2 O14 Ba1 -130.7(3) . 2_565
P2 Ba2 O14 Ba1 54.34(13) 2_565 2_565
Ba1 Ba2 O14 Ba1 -140.09(9) 2_665 2_565
O11 Ba2 O14 Rb1 25.06(15) 2_655 1_545
O5 Ba2 O14 Rb1 143.68(15) . 1_545
O2 Ba2 O14 Rb1 38.8(4) 2_665 1_545
O1 Ba2 O14 Rb1 -158.7(2) . 1_545
O6 Ba2 O14 Rb1 -82.86(18) 2_565 1_545
O15 Ba2 O14 Rb1 106.5(2) . 1_545
O12 Ba2 O14 Rb1 -91.1(2) 2_665 1_545
P5 Ba2 O14 Rb1 112.7(3) . 1_545
P2 Ba2 O14 Rb1 -62.27(12) 2_565 1_545
Ba1 Ba2 O14 Rb1 103.30(15) 2_665 1_545
Ba1 Ba2 O14 Rb1 -116.6(2) 2_565 1_545
O15 P5 O3 P1 -40.2(7) . 1_545
O14 P5 O3 P1 -168.3(6) . 1_545
O13 P5 O3 P1 72.8(7) . 1_545
Ba2 P5 O3 P1 -100.7(6) . 1_545
Rb1 P5 O3 P1 -141.0(7) 1_545 1_545
Rb1 P5 O3 P1 -5.9(7) 2_564 1_545
O15 P5 O3 Rb1 100.8(3) . 1_545
O14 P5 O3 Rb1 -27.3(3) . 1_545
O13 P5 O3 Rb1 -146.3(2) . 1_545
Ba2 P5 O3 Rb1 40.2(3) . 1_545
Rb1 P5 O3 Rb1 135.05(9) 2_564 1_545
