#------------------------------------------------------------------------------
#$Date: 2018-11-03 22:29:45 +0200 (Sat, 03 Nov 2018) $
#$Revision: 211787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/12/2021237.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021237
loop_
_publ_author_name
'Song, Jun-Ling'
'Lu, Wen-Xiu'
'Guo, Tian-Shuo'
'Zhou, Yu-Hua'
_publ_section_title
;
 Syntheses, crystal structures and optical properties of two
 one-dimensional germanophosphates: HRb₃Ge₂(HPO₄)₆ and
 CsGe(HPO₄)₂(OH)
;
_journal_coeditor_code           LY3074
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1146
_journal_page_last               1152
_journal_paper_doi               10.1107/S2053229618012792
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          'H Rb3 Ge2 (H P O4)6'
_chemical_formula_moiety         'Ge2 H7 O24 P6 Rb3'
_chemical_formula_sum            'Ge2 H7 O24 P6 Rb3'
_chemical_formula_weight         978.47
_chemical_name_systematic
;
Hydrogen hexakis(μ-hydrogen phosphato)digermaniumtrirubidium
;
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   mixed
_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            3
_cell_length_a                   14.5940(9)
_cell_length_b                   14.5940(9)
_cell_length_c                   8.5522(6)
_cell_measurement_reflns_used    3159
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.88
_cell_volume                     1577.46(18)
_computing_cell_refinement
;
SAINT (Bruker, 2015)
;
_computing_data_collection
;
APEX2 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
PLATON (Spek, 2009)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0197
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4050
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    10.328
_exptl_absorpt_correction_T_max  0.356
_exptl_absorpt_correction_T_min  0.209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2015)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.090
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1389
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.674
_refine_diff_density_min         -1.415
_refine_ls_extinction_coef       0.0039(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     57
_refine_ls_number_reflns         624
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.142
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0308
_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)+(0.0392P)²+22.1168P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0852
_reflns_number_gt                573
_reflns_number_total             624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ly3074sup1.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 2021237--2021238.cif.'
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'H7 Ge2 O24 P6 Rb3'
_cod_database_code               2021237
_cod_database_fobs_code          2021237
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
Ge Ge1 0.0000 0.0000 0.5000 0.0134(4) Uani d S 1 6
Ge Ge2 0.0000 0.0000 0.0000 0.0060(3) Uani d S 1 6
P P1 -0.18052(8) -0.09530(8) 0.25180(12) 0.0090(4) Uani d D 1 1
O O1 -0.1119(2) -0.1008(2) 0.1201(3) 0.0094(6) Uani d . 1 1
O O2 -0.1134(2) -0.0155(2) 0.3784(3) 0.0127(7) Uani d . 1 1
O O3 -0.2594(3) -0.0655(3) 0.1890(4) 0.0189(8) Uani d . 1 1
O O4 -0.2388(3) -0.2088(3) 0.3194(4) 0.0248(9) Uani d D 1 1
H H4 -0.2940 -0.2175 0.3671 0.037 Uiso d RD 1 1
Rb Rb1 -0.1667 -0.3333 0.1667 0.0622(5) Uani d SD 1 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ge Ge 0.1547 1.8001 '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'
H H 0.0000 0.0000 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O2 Ge1 O2 . 10_556 180.0
O2 Ge1 O2 . 11_556 87.95(13)
O2 Ge1 O2 10_556 11_556 92.05(13)
O2 Ge1 O2 . 2 92.05(13)
O2 Ge1 O2 10_556 2 87.95(13)
O2 Ge1 O2 11_556 2 180.0
O2 Ge1 O2 . 12_556 87.95(13)
O2 Ge1 O2 10_556 12_556 92.05(13)
O2 Ge1 O2 11_556 12_556 92.05(13)
O2 Ge1 O2 2 12_556 87.95(13)
O2 Ge1 O2 . 3 92.05(13)
O2 Ge1 O2 10_556 3 87.95(13)
O2 Ge1 O2 11_556 3 87.95(13)
O2 Ge1 O2 2 3 92.05(13)
O2 Ge1 O2 12_556 3 180.00(19)
O1 Ge2 O1 12 3 180.0(2)
O1 Ge2 O1 12 11 92.61(12)
O1 Ge2 O1 3 11 87.39(12)
O1 Ge2 O1 12 2 87.39(12)
O1 Ge2 O1 3 2 92.61(12)
O1 Ge2 O1 11 2 180.0(2)
O1 Ge2 O1 12 10 92.61(12)
O1 Ge2 O1 3 10 87.39(12)
O1 Ge2 O1 11 10 92.61(12)
O1 Ge2 O1 2 10 87.39(12)
O1 Ge2 O1 12 . 87.39(12)
O1 Ge2 O1 3 . 92.61(12)
O1 Ge2 O1 11 . 87.39(12)
O1 Ge2 O1 2 . 92.61(12)
O1 Ge2 O1 10 . 180.0
O3 P1 O2 . . 108.72(18)
O3 P1 O1 . . 111.33(18)
O2 P1 O1 . . 111.82(17)
O3 P1 O4 . . 110.4(2)
O2 P1 O4 . . 110.49(19)
O1 P1 O4 . . 104.00(17)
O3 P1 Rb1 . . 127.78(14)
O2 P1 Rb1 . . 123.02(12)
O1 P1 Rb1 . . 57.06(11)
O4 P1 Rb1 . . 47.03(12)
O3 P1 Rb1 . 3 46.35(13)
O2 P1 Rb1 . 3 71.25(12)
O1 P1 Rb1 . 3 101.79(11)
O4 P1 Rb1 . 3 150.91(14)
Rb1 P1 Rb1 . 3 156.79(3)
O3 P1 Rb1 . 8_444 50.57(13)
O2 P1 Rb1 . 8_444 151.27(12)
O1 P1 Rb1 . 8_444 68.28(11)
O4 P1 Rb1 . 8_444 96.72(15)
Rb1 P1 Rb1 . 8_444 82.24(2)
Rb1 P1 Rb1 3 8_444 80.53(2)
P1 O1 Ge2 . . 134.32(18)
P1 O1 Rb1 . . 98.35(13)
Ge2 O1 Rb1 . . 125.39(13)
P1 O2 Ge1 . . 132.57(19)
P1 O2 Rb1 . 3 85.05(12)
Ge1 O2 Rb1 . 3 133.90(14)
P1 O3 Rb1 . 3 111.87(17)
P1 O3 Rb1 . 8_444 108.74(16)
Rb1 O3 Rb1 3 8_444 108.13(10)
P1 O4 Rb1 . . 109.43(16)
O4 Rb1 O4 . 13_445 180.0
O4 Rb1 O3 . 14_445 78.80(10)
O4 Rb1 O3 13_445 14_445 101.20(10)
O4 Rb1 O3 . 2 101.20(10)
O4 Rb1 O3 13_445 2 78.80(10)
O3 Rb1 O3 14_445 2 180.0
O4 Rb1 O1 . . 48.09(8)
O4 Rb1 O1 13_445 . 131.91(8)
O3 Rb1 O1 14_445 . 108.92(8)
O3 Rb1 O1 2 . 71.07(8)
O4 Rb1 O1 . 13_445 131.91(8)
O4 Rb1 O1 13_445 13_445 48.09(8)
O3 Rb1 O1 14_445 13_445 71.07(8)
O3 Rb1 O1 2 13_445 108.93(8)
O1 Rb1 O1 . 13_445 180.0
O4 Rb1 O3 . 12 94.05(10)
O4 Rb1 O3 13_445 12 85.95(10)
O3 Rb1 O3 14_445 12 83.23(10)
O3 Rb1 O3 2 12 96.77(10)
O1 Rb1 O3 . 12 62.18(8)
O1 Rb1 O3 13_445 12 117.82(8)
O4 Rb1 O3 . 6_445 85.95(10)
O4 Rb1 O3 13_445 6_445 94.05(10)
O3 Rb1 O3 14_445 6_445 96.77(10)
O3 Rb1 O3 2 6_445 83.23(10)
O1 Rb1 O3 . 6_445 117.82(8)
O1 Rb1 O3 13_445 6_445 62.18(8)
O3 Rb1 O3 12 6_445 180.0
O4 Rb1 O2 . 2 59.42(9)
O4 Rb1 O2 13_445 2 120.59(9)
O3 Rb1 O2 14_445 2 137.06(8)
O3 Rb1 O2 2 2 42.94(8)
O1 Rb1 O2 . 2 50.03(7)
O1 Rb1 O2 13_445 2 129.97(7)
O3 Rb1 O2 12 2 107.55(7)
O3 Rb1 O2 6_445 2 72.45(7)
O4 Rb1 O2 . 14_445 120.58(9)
O4 Rb1 O2 13_445 14_445 59.42(9)
O3 Rb1 O2 14_445 14_445 42.94(8)
O3 Rb1 O2 2 14_445 137.07(8)
O1 Rb1 O2 . 14_445 129.97(7)
O1 Rb1 O2 13_445 14_445 50.03(7)
O3 Rb1 O2 12 14_445 72.45(7)
O3 Rb1 O2 6_445 14_445 107.55(7)
O2 Rb1 O2 2 14_445 180.0
O4 Rb1 P1 . . 23.54(6)
O4 Rb1 P1 13_445 . 156.46(6)
O3 Rb1 P1 14_445 . 94.46(6)
O3 Rb1 P1 2 . 85.53(6)
O1 Rb1 P1 . . 24.59(5)
O1 Rb1 P1 13_445 . 155.41(5)
O3 Rb1 P1 12 . 78.51(6)
O3 Rb1 P1 6_445 . 101.49(6)
O2 Rb1 P1 2 . 50.14(5)
O2 Rb1 P1 14_445 . 129.86(5)
O4 Rb1 P1 . 13_445 156.46(6)
O4 Rb1 P1 13_445 13_445 23.54(6)
O3 Rb1 P1 14_445 13_445 85.54(6)
O3 Rb1 P1 2 13_445 94.47(6)
O1 Rb1 P1 . 13_445 155.41(5)
O1 Rb1 P1 13_445 13_445 24.59(5)
O3 Rb1 P1 12 13_445 101.49(6)
O3 Rb1 P1 6_445 13_445 78.51(6)
O2 Rb1 P1 2 13_445 129.86(5)
O2 Rb1 P1 14_445 13_445 50.14(5)
P1 Rb1 P1 . 13_445 180.0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ge1 O2 . 1.870(3)
Ge1 O2 10_556 1.870(3)
Ge1 O2 11_556 1.870(3)
Ge1 O2 2 1.870(3)
Ge1 O2 12_556 1.870(3)
Ge1 O2 3 1.870(3)
Ge2 O1 12 1.866(3)
Ge2 O1 3 1.866(3)
Ge2 O1 11 1.866(3)
Ge2 O1 2 1.866(3)
Ge2 O1 10 1.866(3)
Ge2 O1 . 1.866(3)
P1 O3 . 1.518(3)
P1 O2 . 1.532(3)
P1 O1 . 1.536(3)
P1 O4 . 1.547(3)
P1 Rb1 . 3.6526(11)
P1 Rb1 3 3.7966(11)
P1 Rb1 8_444 4.0674(11)
O1 Rb1 . 3.098(3)
O2 Rb1 3 3.609(3)
O3 Rb1 3 2.960(3)
O3 Rb1 8_444 3.317(3)
O4 Rb1 . 2.834(3)
Rb1 O4 13_445 2.834(3)
Rb1 O3 14_445 2.960(3)
Rb1 O3 2 2.960(3)
Rb1 O1 13_445 3.098(3)
Rb1 O3 12 3.317(3)
Rb1 O3 6_445 3.317(3)
Rb1 O2 2 3.609(3)
Rb1 O2 14_445 3.609(3)
Rb1 P1 13_445 3.6525(11)
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O3 P1 O1 Ge2 . . 73.9(3)
O2 P1 O1 Ge2 . . -47.9(3)
O4 P1 O1 Ge2 . . -167.2(3)
Rb1 P1 O1 Ge2 . . -164.0(3)
Rb1 P1 O1 Ge2 3 . 26.4(3)
Rb1 P1 O1 Ge2 8_444 . 101.1(2)
O3 P1 O1 Rb1 . . -122.06(16)
O2 P1 O1 Rb1 . . 116.11(15)
O4 P1 O1 Rb1 . . -3.13(19)
Rb1 P1 O1 Rb1 3 . -169.56(5)
Rb1 P1 O1 Rb1 8_444 . -94.88(8)
O1 Ge2 O1 P1 12 . -172.1(3)
O1 Ge2 O1 P1 3 . 7.9(3)
O1 Ge2 O1 P1 11 . -79.34(16)
O1 Ge2 O1 P1 2 . 100.66(16)
O1 Ge2 O1 P1 10 . 154(3)
O1 Ge2 O1 Rb1 12 . 27.40(11)
O1 Ge2 O1 Rb1 3 . -152.60(11)
O1 Ge2 O1 Rb1 11 . 120.1(2)
O1 Ge2 O1 Rb1 2 . -59.9(2)
O1 Ge2 O1 Rb1 10 . -7(2)
O3 P1 O2 Ge1 . . -177.7(2)
O1 P1 O2 Ge1 . . -54.4(3)
O4 P1 O2 Ge1 . . 60.9(3)
Rb1 P1 O2 Ge1 . . 9.6(3)
Rb1 P1 O2 Ge1 3 . -149.9(3)
Rb1 P1 O2 Ge1 8_444 . -138.72(17)
O3 P1 O2 Rb1 . 3 -27.78(16)
O1 P1 O2 Rb1 . 3 95.54(14)
O4 P1 O2 Rb1 . 3 -149.12(15)
Rb1 P1 O2 Rb1 . 3 159.55(6)
Rb1 P1 O2 Rb1 8_444 3 11.2(3)
O2 Ge1 O2 P1 10_556 . 68.8(11)
O2 Ge1 O2 P1 11_556 . -168.7(3)
O2 Ge1 O2 P1 2 . 11.3(3)
O2 Ge1 O2 P1 12_556 . -76.60(16)
O2 Ge1 O2 P1 3 . 103.40(16)
O2 Ge1 O2 Rb1 10_556 3 -67.4(10)
O2 Ge1 O2 Rb1 11_556 3 55.10(9)
O2 Ge1 O2 Rb1 2 3 -124.90(9)
O2 Ge1 O2 Rb1 12_556 3 147.2(2)
O2 Ge1 O2 Rb1 3 3 -32.8(2)
O2 P1 O3 Rb1 . 3 37.6(2)
O1 P1 O3 Rb1 . 3 -86.03(18)
O4 P1 O3 Rb1 . 3 158.97(16)
Rb1 P1 O3 Rb1 . 3 -150.19(7)
Rb1 P1 O3 Rb1 8_444 3 -119.4(2)
O2 P1 O3 Rb1 . 8_444 156.94(14)
O1 P1 O3 Rb1 . 8_444 33.3(2)
O4 P1 O3 Rb1 . 8_444 -81.68(19)
Rb1 P1 O3 Rb1 . 8_444 -30.8(2)
Rb1 P1 O3 Rb1 3 8_444 119.4(2)
O3 P1 O4 Rb1 . . 123.13(18)
O2 P1 O4 Rb1 . . -116.55(17)
O1 P1 O4 Rb1 . . 3.6(2)
Rb1 P1 O4 Rb1 3 . 155.40(16)
Rb1 P1 O4 Rb1 8_444 . 72.82(15)
P1 O4 Rb1 O4 . 13_445 -132(2)
P1 O4 Rb1 O3 . 14_445 -130.8(2)
P1 O4 Rb1 O3 . 2 49.2(2)
P1 O4 Rb1 O1 . . -2.32(14)
P1 O4 Rb1 O1 . 13_445 177.68(14)
P1 O4 Rb1 O3 . 12 -48.5(2)
P1 O4 Rb1 O3 . 6_445 131.5(2)
P1 O4 Rb1 O2 . 2 59.50(18)
P1 O4 Rb1 O2 . 14_445 -120.50(18)
P1 O4 Rb1 P1 . 13_445 180.0
P1 O1 Rb1 O4 . . 2.23(13)
Ge2 O1 Rb1 O4 . . 168.3(2)
P1 O1 Rb1 O4 . 13_445 -177.77(13)
Ge2 O1 Rb1 O4 . 13_445 -11.7(2)
P1 O1 Rb1 O3 . 14_445 56.53(15)
Ge2 O1 Rb1 O3 . 14_445 -137.43(15)
P1 O1 Rb1 O3 . 2 -123.47(15)
Ge2 O1 Rb1 O3 . 2 42.57(15)
P1 O1 Rb1 O1 . 13_445 12(3)
Ge2 O1 Rb1 O1 . 13_445 178(3)
P1 O1 Rb1 O3 . 12 127.75(15)
Ge2 O1 Rb1 O3 . 12 -66.21(15)
P1 O1 Rb1 O3 . 6_445 -52.25(15)
Ge2 O1 Rb1 O3 . 6_445 113.79(15)
P1 O1 Rb1 O2 . 2 -79.73(14)
Ge2 O1 Rb1 O2 . 2 86.31(16)
P1 O1 Rb1 O2 . 14_445 100.26(14)
Ge2 O1 Rb1 O2 . 14_445 -93.69(16)
Ge2 O1 Rb1 P1 . . 166.0(3)
P1 O1 Rb1 P1 . 13_445 180.0
Ge2 O1 Rb1 P1 . 13_445 -14.0(3)
O3 P1 Rb1 O4 . . -83.2(3)
O2 P1 Rb1 O4 . . 88.0(2)
O1 P1 Rb1 O4 . . -175.8(3)
Rb1 P1 Rb1 O4 3 . -149.1(2)
Rb1 P1 Rb1 O4 8_444 . -106.7(2)
O3 P1 Rb1 O4 . 13_445 96.8(3)
O2 P1 Rb1 O4 . 13_445 -92.0(2)
O1 P1 Rb1 O4 . 13_445 4.2(3)
O4 P1 Rb1 O4 . 13_445 180.0
Rb1 P1 Rb1 O4 3 13_445 30.9(2)
Rb1 P1 Rb1 O4 8_444 13_445 73.3(2)
O3 P1 Rb1 O3 . 14_445 -35.0(2)
O2 P1 Rb1 O3 . 14_445 136.17(16)
O1 P1 Rb1 O3 . 14_445 -127.68(15)
O4 P1 Rb1 O3 . 14_445 48.2(2)
Rb1 P1 Rb1 O3 3 14_445 -100.93(10)
Rb1 P1 Rb1 O3 8_444 14_445 -58.58(6)
O3 P1 Rb1 O3 . 2 145.0(2)
O2 P1 Rb1 O3 . 2 -43.83(16)
O1 P1 Rb1 O3 . 2 52.32(15)
O4 P1 Rb1 O3 . 2 -131.8(2)
Rb1 P1 Rb1 O3 3 2 79.07(10)
Rb1 P1 Rb1 O3 8_444 2 121.42(6)
O3 P1 Rb1 O1 . . 92.6(2)
O2 P1 Rb1 O1 . . -96.1(2)
O4 P1 Rb1 O1 . . 175.8(3)
Rb1 P1 Rb1 O1 3 . 26.75(14)
Rb1 P1 Rb1 O1 8_444 . 69.10(13)
O3 P1 Rb1 O1 . 13_445 -87.4(2)
O2 P1 Rb1 O1 . 13_445 83.9(2)
O1 P1 Rb1 O1 . 13_445 180.0
O4 P1 Rb1 O1 . 13_445 -4.2(3)
Rb1 P1 Rb1 O1 3 13_445 -153.25(14)
Rb1 P1 Rb1 O1 8_444 13_445 -110.90(13)
O3 P1 Rb1 O3 . 12 47.12(18)
O2 P1 Rb1 O3 . 12 -141.68(16)
O1 P1 Rb1 O3 . 12 -45.53(14)
O4 P1 Rb1 O3 . 12 130.3(2)
Rb1 P1 Rb1 O3 3 12 -18.78(10)
Rb1 P1 Rb1 O3 8_444 12 23.57(6)
O3 P1 Rb1 O3 . 6_445 -132.88(18)
O2 P1 Rb1 O3 . 6_445 38.32(16)
O1 P1 Rb1 O3 . 6_445 134.47(14)
O4 P1 Rb1 O3 . 6_445 -49.7(2)
Rb1 P1 Rb1 O3 3 6_445 161.22(10)
Rb1 P1 Rb1 O3 8_444 6_445 -156.43(6)
O3 P1 Rb1 O2 . 2 171.90(19)
O2 P1 Rb1 O2 . 2 -16.89(13)
O1 P1 Rb1 O2 . 2 79.26(15)
O4 P1 Rb1 O2 . 2 -104.9(2)
Rb1 P1 Rb1 O2 3 2 106.00(10)
Rb1 P1 Rb1 O2 8_444 2 148.35(6)
O3 P1 Rb1 O2 . 14_445 -8.10(19)
O2 P1 Rb1 O2 . 14_445 163.11(13)
O1 P1 Rb1 O2 . 14_445 -100.74(15)
O4 P1 Rb1 O2 . 14_445 75.1(2)
Rb1 P1 Rb1 O2 3 14_445 -74.00(10)
Rb1 P1 Rb1 O2 8_444 14_445 -31.65(6)
O3 P1 Rb1 P1 . 13_445 -40(6)
O2 P1 Rb1 P1 . 13_445 131(6)
O1 P1 Rb1 P1 . 13_445 -133(6)
O4 P1 Rb1 P1 . 13_445 43(6)
Rb1 P1 Rb1 P1 3 13_445 -106(6)
Rb1 P1 Rb1 P1 8_444 13_445 -63(6)
