#------------------------------------------------------------------------------
#$Date: 2019-12-25 22:26:41 +0200 (Wed, 25 Dec 2019) $
#$Revision: 245891 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/14/2311446.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_2311446
loop_
_publ_author_name
'Schwendtner, Karolina'
'Kolitsch, Uwe'
_publ_section_title
;
 MIn(HAsO₄)₂ (M = K, Rb, Cs): three
 new hydrogen-arsenates adopting two different structure types.
;
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1580
_journal_page_last               1586
_journal_paper_doi               10.1107/S205698901701355X
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          'Rb In (H As O4)2'
_chemical_formula_moiety         'Rb In (H As O4)2'
_chemical_formula_sum            'As2 H2 In O8 Rb'
_chemical_formula_weight         480.15
_chemical_name_common            'rubidium indium bis(hydrogen arsenate)'
_chemical_name_systematic        'Rubidium indium bis[hydrogen arsenate(V)]'
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   8.5120(10)
_cell_length_b                   8.5120(10)
_cell_length_c                   56.434(11)
_cell_measurement_reflns_used    2882
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.547
_cell_measurement_theta_min      2.856
_cell_volume                     3541.1(9)
_computing_cell_refinement
;
SCALEPACK (Otwinowski et al.,  2003)
;
_computing_data_collection
;
COLLECT (Nonius, 2003)
;
_computing_data_reduction
;
DENZO and SCALEPACK (Otwinowski et al.,  2003)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2005)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius KappaCCD single-crystal four-circle'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       85
_diffrn_reflns_limit_l_min       -85
_diffrn_reflns_number            5262
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.547
_diffrn_reflns_theta_min         2.856
_exptl_absorpt_coefficient_mu    17.502
_exptl_absorpt_correction_T_max  0.779
_exptl_absorpt_correction_T_min  0.475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SCALEPACK; Otwinowski et al.,  2003)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    4.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'small hexagonal platelets'
_exptl_crystal_F_000             3924
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.015
_refine_diff_density_max         1.001
_refine_diff_density_min         -0.861
_refine_ls_extinction_coef       0.000313(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2016 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     69
_refine_ls_number_reflns         1443
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0251
_refine_ls_R_factor_gt           0.0184
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0140P)²+16.3085P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0390
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                1255
_reflns_number_total             1443
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            pj2047sup1.cif
_cod_data_source_block           RbInHAsO42
_cod_original_cell_volume        3541.1(11)
_cod_database_code               2311446
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.475
_shelx_estimated_absorpt_t_max   0.779
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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_occupancy
Rb Rb1A 0.000000 0.000000 0.750000 0.0236(2) Uani d 0.949(3)
Rb Rb1B 0.000000 -0.051(4) 0.750000 0.0236(2) Uani d 0.0170(9)
Rb Rb2A 0.000000 0.000000 0.66882(10) 0.0423(6) Uani d 0.567(3)
Rb Rb2B -0.0304(11) -0.0266(11) 0.66795(15) 0.0423(6) Uani d 0.1442(9)
In In1 0.333333 0.666667 0.75297(2) 0.01028(7) Uani d 1
In In2 0.333333 0.666667 0.666667 0.01217(8) Uani d 1
As As -0.39741(3) -0.36940(3) 0.71279(2) 0.01097(7) Uani d 1
O O1 0.5235(3) -0.3776(3) 0.68584(3) 0.0298(5) Uani d 1
O O2 -0.4271(2) -0.2389(2) 0.73221(3) 0.0171(3) Uani d 1
O O3 -0.1635(2) -0.2654(3) 0.70899(3) 0.0201(4) Uani d 1
O O4 0.4679(2) -0.1119(2) 0.77738(3) 0.0155(3) Uani d 1
H H -0.131(6) -0.339(5) 0.7128(7) 0.051(13) Uiso d 1
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'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 '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
Rb1B Rb1A Rb1B 2 3 120.00(12)
Rb1B Rb1A O3 2 5_556 59.08(4)
Rb1B Rb1A O3 3 5_556 85.05(9)
Rb1B Rb1A O3 2 2 59.08(4)
Rb1B Rb1A O3 3 2 126.88(5)
O3 Rb1A O3 5_556 2 118.16(8)
Rb1B Rb1A O3 2 4_556 126.88(4)
Rb1B Rb1A O3 3 4_556 59.08(7)
O3 Rb1A O3 5_556 4_556 68.39(6)
O3 Rb1A O3 2 4_556 170.10(7)
Rb1B Rb1A O3 2 6_556 85.05(4)
Rb1B Rb1A O3 3 6_556 126.88(5)
O3 Rb1A O3 5_556 6_556 68.39(6)
O3 Rb1A O3 2 6_556 106.24(7)
O3 Rb1A O3 4_556 6_556 68.39(6)
Rb1B Rb1A O3 2 3 85.05(4)
Rb1B Rb1A O3 3 3 59.08(7)
O3 Rb1A O3 5_556 3 106.24(7)
O3 Rb1A O3 2 3 68.39(6)
O3 Rb1A O3 4_556 3 118.16(7)
O3 Rb1A O3 6_556 3 170.10(8)
Rb1B Rb1A O3 2 . 126.88(4)
Rb1B Rb1A O3 3 . 85.05(9)
O3 Rb1A O3 5_556 . 170.10(7)
O3 Rb1A O3 2 . 68.38(6)
O3 Rb1A O3 4_556 . 106.24(7)
O3 Rb1A O3 6_556 . 118.16(7)
O3 Rb1A O3 3 . 68.38(6)
Rb1B Rb1A O2 2 . 148.87(3)
Rb1B Rb1A O2 3 . 37.75(11)
O3 Rb1A O2 5_556 . 120.30(5)
O3 Rb1A O2 2 . 112.03(5)
O3 Rb1A O2 4_556 . 67.27(5)
O3 Rb1A O2 6_556 . 125.02(5)
O3 Rb1A O2 3 . 64.77(5)
O3 Rb1A O2 . . 50.13(4)
Rb1B Rb1A O2 2 6_556 37.75(3)
Rb1B Rb1A O2 3 6_556 148.87(10)
O3 Rb1A O2 5_556 6_556 64.77(5)
O3 Rb1A O2 2 6_556 67.27(5)
O3 Rb1A O2 4_556 6_556 112.03(5)
O3 Rb1A O2 6_556 6_556 50.13(5)
O3 Rb1A O2 3 6_556 120.30(5)
O3 Rb1A O2 . 6_556 125.02(5)
O2 Rb1A O2 . 6_556 172.51(6)
Rb1B Rb1A O2 2 4_556 148.87(3)
Rb1B Rb1A O2 3 4_556 86.26(12)
O3 Rb1A O2 5_556 4_556 112.03(5)
O3 Rb1A O2 2 4_556 120.30(5)
O3 Rb1A O2 4_556 4_556 50.13(4)
O3 Rb1A O2 6_556 4_556 64.77(5)
O3 Rb1A O2 3 4_556 125.02(5)
O3 Rb1A O2 . 4_556 67.27(5)
O2 Rb1A O2 . 4_556 62.27(6)
O2 Rb1A O2 6_556 4_556 111.23(3)
Rb1B Rb1A O2 2 3 37.75(3)
Rb1B Rb1A O2 3 3 86.26(12)
O3 Rb1A O2 5_556 3 67.27(5)
O3 Rb1A O2 2 3 64.77(5)
O3 Rb1A O2 4_556 3 125.02(5)
O3 Rb1A O2 6_556 3 120.30(5)
O3 Rb1A O2 3 3 50.13(5)
O3 Rb1A O2 . 3 112.03(5)
O2 Rb1A O2 . 3 111.23(3)
O2 Rb1A O2 6_556 3 75.50(6)
O2 Rb1A O2 4_556 3 172.51(6)
Rb1B Rb1A O2 2 5_556 86.26(3)
Rb1B Rb1A O2 3 5_556 37.75(11)
O3 Rb1A O2 5_556 5_556 50.13(4)
O3 Rb1A O2 2 5_556 125.02(5)
O3 Rb1A O2 4_556 5_556 64.77(5)
O3 Rb1A O2 6_556 5_556 112.03(5)
O3 Rb1A O2 3 5_556 67.27(5)
O3 Rb1A O2 . 5_556 120.30(5)
O2 Rb1A O2 . 5_556 75.50(6)
O2 Rb1A O2 6_556 5_556 111.23(3)
O2 Rb1A O2 4_556 5_556 111.23(3)
O2 Rb1A O2 3 5_556 62.27(6)
Rb1B Rb1A O2 2 2 86.26(3)
Rb1B Rb1A O2 3 2 148.87(11)
O3 Rb1A O2 5_556 2 125.02(5)
O3 Rb1A O2 2 2 50.13(4)
O3 Rb1A O2 4_556 2 120.30(5)
O3 Rb1A O2 6_556 2 67.27(5)
O3 Rb1A O2 3 2 112.03(5)
O3 Rb1A O2 . 2 64.77(5)
O2 Rb1A O2 . 2 111.23(3)
O2 Rb1A O2 6_556 2 62.27(6)
O2 Rb1A O2 4_556 2 75.50(6)
O2 Rb1A O2 3 2 111.23(3)
O2 Rb1A O2 5_556 2 172.51(7)
Rb1B Rb1A As 2 5_556 68.045(6)
Rb1B Rb1A As 3 5_556 62.23(10)
O3 Rb1A As 5_556 5_556 25.58(3)
O3 Rb1A As 2 5_556 121.18(4)
O3 Rb1A As 4_556 5_556 68.11(4)
O3 Rb1A As 6_556 5_556 92.38(4)
O3 Rb1A As 3 5_556 83.92(4)
O3 Rb1A As . 5_556 145.24(3)
O2 Rb1A As . 5_556 99.68(3)
O2 Rb1A As 6_556 5_556 86.65(3)
O2 Rb1A As 4_556 5_556 118.16(3)
O2 Rb1A As 3 5_556 57.81(3)
O2 Rb1A As 5_556 5_556 25.19(3)
O2 Rb1A As 2 5_556 148.88(3)
Rb1B Rb1A H 2 . 127.6(7)
Rb1B Rb1A H 3 . 95.7(8)
O3 Rb1A H 5_556 . 170.2(6)
O3 Rb1A H 2 . 69.0(7)
O3 Rb1A H 4_556 . 103.6(7)
O3 Rb1A H 6_556 . 103.8(6)
O3 Rb1A H 3 . 82.3(6)
O3 Rb1A H . . 14.5(6)
O2 Rb1A H . . 58.6(7)
O2 Rb1A H 6_556 . 115.4(7)
O2 Rb1A H 4_556 . 58.4(6)
O2 Rb1A H 3 . 122.5(6)
O2 Rb1A H 5_556 . 132.7(7)
O2 Rb1A H 2 . 53.3(7)
As Rb1A H 5_556 . 157.8(7)
Rb1B Rb1A H 2 2 44.8(6)
Rb1B Rb1A H 3 2 127.6(8)
O3 Rb1A H 5_556 2 103.8(6)
O3 Rb1A H 2 2 14.5(6)
O3 Rb1A H 4_556 2 170.2(6)
O3 Rb1A H 6_556 2 103.6(7)
O3 Rb1A H 3 2 69.0(7)
O3 Rb1A H . 2 82.3(6)
O2 Rb1A H . 2 122.5(6)
O2 Rb1A H 6_556 2 58.4(6)
O2 Rb1A H 4_556 2 132.7(7)
O2 Rb1A H 3 2 53.3(7)
O2 Rb1A H 5_556 2 115.4(7)
O2 Rb1A H 2 2 58.6(7)
As Rb1A H 5_556 2 107.6(7)
H Rb1A H . 2 83.5(9)
Rb1B Rb1A H 2 3 95.7(7)
Rb1B Rb1A H 3 3 44.8(6)
O3 Rb1A H 5_556 3 103.6(7)
O3 Rb1A H 2 3 82.3(6)
O3 Rb1A H 4_556 3 103.8(6)
O3 Rb1A H 6_556 3 170.2(6)
O3 Rb1A H 3 3 14.5(6)
O3 Rb1A H . 3 69.0(7)
O2 Rb1A H . 3 53.3(7)
O2 Rb1A H 6_556 3 132.7(7)
O2 Rb1A H 4_556 3 115.4(8)
O2 Rb1A H 3 3 58.6(7)
O2 Rb1A H 5_556 3 58.4(6)
O2 Rb1A H 2 3 122.5(6)
As Rb1A H 5_556 3 78.9(7)
H Rb1A H . 3 83.5(9)
H Rb1A H 2 3 83.5(9)
Rb1B Rb1A H 2 4_556 127.6(7)
Rb1B Rb1A H 3 4_556 44.8(6)
O3 Rb1A H 5_556 4_556 69.0(7)
O3 Rb1A H 2 4_556 170.2(6)
O3 Rb1A H 4_556 4_556 14.5(6)
O3 Rb1A H 6_556 4_556 82.3(6)
O3 Rb1A H 3 4_556 103.8(6)
O3 Rb1A H . 4_556 103.6(7)
O2 Rb1A H . 4_556 58.4(6)
O2 Rb1A H 6_556 4_556 122.5(6)
O2 Rb1A H 4_556 4_556 58.6(7)
O2 Rb1A H 3 4_556 115.4(7)
O2 Rb1A H 5_556 4_556 53.3(7)
O2 Rb1A H 2 4_556 132.7(7)
As Rb1A H 5_556 4_556 62.0(7)
H Rb1A H . 4_556 104.8(15)
H Rb1A H 2 4_556 168.6(14)
H Rb1A H 3 4_556 89.6(11)
Rb1B Rb1A H 2 5_556 44.8(6)
Rb1B Rb1A H 3 5_556 95.7(8)
O3 Rb1A H 5_556 5_556 14.5(6)
O3 Rb1A H 2 5_556 103.8(6)
O3 Rb1A H 4_556 5_556 82.3(6)
O3 Rb1A H 6_556 5_556 69.0(7)
O3 Rb1A H 3 5_556 103.6(7)
O3 Rb1A H . 5_556 170.2(6)
O2 Rb1A H . 5_556 132.7(7)
O2 Rb1A H 6_556 5_556 53.3(7)
O2 Rb1A H 4_556 5_556 122.5(6)
O2 Rb1A H 3 5_556 58.4(6)
O2 Rb1A H 5_556 5_556 58.6(7)
O2 Rb1A H 2 5_556 115.4(7)
As Rb1A H 5_556 5_556 33.5(7)
H Rb1A H . 5_556 168.6(14)
H Rb1A H 2 5_556 89.6(12)
H Rb1A H 3 5_556 104.8(15)
H Rb1A H 4_556 5_556 83.5(9)
Rb1B Rb1A H 2 6_556 95.7(7)
Rb1B Rb1A H 3 6_556 127.6(8)
O3 Rb1A H 5_556 6_556 82.3(6)
O3 Rb1A H 2 6_556 103.6(7)
O3 Rb1A H 4_556 6_556 69.0(7)
O3 Rb1A H 6_556 6_556 14.5(6)
O3 Rb1A H 3 6_556 170.2(6)
O3 Rb1A H . 6_556 103.8(6)
O2 Rb1A H . 6_556 115.4(8)
O2 Rb1A H 6_556 6_556 58.6(7)
O2 Rb1A H 4_556 6_556 53.3(7)
O2 Rb1A H 3 6_556 132.7(7)
O2 Rb1A H 5_556 6_556 122.5(6)
O2 Rb1A H 2 6_556 58.4(6)
As Rb1A H 5_556 6_556 105.4(6)
H Rb1A H . 6_556 89.6(11)
H Rb1A H 2 6_556 104.8(14)
H Rb1A H 3 6_556 168.6(15)
H Rb1A H 4_556 6_556 83.5(9)
H Rb1A H 5_556 6_556 83.5(9)
Rb1B Rb1B Rb1B 2 3 60.00(3)
Rb1B Rb1B O3 2 6_556 97.5(5)
Rb1B Rb1B O3 3 6_556 123.7(5)
Rb1B Rb1B O3 2 . 123.7(5)
Rb1B Rb1B O3 3 . 97.5(6)
O3 Rb1B O3 6_556 . 133.3(11)
Rb1B Rb1B O2 2 4_556 158.5(3)
Rb1B Rb1B O2 3 4_556 109.8(5)
O3 Rb1B O2 6_556 4_556 71.7(5)
O3 Rb1B O2 . 4_556 74.5(5)
Rb1B Rb1B O2 2 2 109.8(4)
Rb1B Rb1B O2 3 2 158.5(3)
O3 Rb1B O2 6_556 2 74.5(5)
O3 Rb1B O2 . 2 71.7(5)
O2 Rb1B O2 4_556 2 85.8(8)
Rb1B Rb1B O3 2 4_556 105.8(5)
Rb1B Rb1B O3 3 4_556 68.2(6)
O3 Rb1B O3 6_556 4_556 71.05(15)
O3 Rb1B O3 . 4_556 111.7(3)
O2 Rb1B O3 4_556 4_556 53.4(2)
O2 Rb1B O3 2 4_556 132.8(9)
Rb1B Rb1B O3 2 2 68.2(5)
Rb1B Rb1B O3 3 2 105.8(5)
O3 Rb1B O3 6_556 2 111.7(3)
O3 Rb1B O3 . 2 71.04(15)
O2 Rb1B O3 4_556 2 132.8(9)
O2 Rb1B O3 2 2 53.4(2)
O3 Rb1B O3 4_556 2 173.4(12)
Rb1B Rb1B O2 2 . 114.7(5)
Rb1B Rb1B O2 3 . 57.8(6)
O3 Rb1B O2 6_556 . 132.6(4)
O3 Rb1B O2 . . 51.41(7)
O2 Rb1B O2 4_556 . 65.7(2)
O2 Rb1B O2 2 . 120.6(6)
O3 Rb1B O2 4_556 . 67.34(7)
O3 Rb1B O2 2 . 112.19(11)
Rb1B Rb1B O2 2 6_556 57.8(5)
Rb1B Rb1B O2 3 6_556 114.7(4)
O3 Rb1B O2 6_556 6_556 51.41(7)
O3 Rb1B O2 . 6_556 132.6(4)
O2 Rb1B O2 4_556 6_556 120.6(6)
O2 Rb1B O2 2 6_556 65.7(2)
O3 Rb1B O2 4_556 6_556 112.19(11)
O3 Rb1B O2 2 6_556 67.34(7)
O2 Rb1B O2 . 6_556 172.4(11)
Rb1B Rb1B O3 2 5_556 45.4(3)
Rb1B Rb1B O3 3 5_556 61.5(3)
O3 Rb1B O3 6_556 5_556 66.84(19)
O3 Rb1B O3 . 5_556 158.9(9)
O2 Rb1B O3 4_556 5_556 113.43(5)
O2 Rb1B O3 2 5_556 126.87(6)
O3 Rb1B O3 4_556 5_556 64.9(3)
O3 Rb1B O3 2 5_556 110.3(6)
O2 Rb1B O3 . 5_556 112.4(6)
O2 Rb1B O3 6_556 5_556 61.9(2)
Rb1B Rb1B O3 2 3 61.5(3)
Rb1B Rb1B O3 3 3 45.4(3)
O3 Rb1B O3 6_556 3 158.9(9)
O3 Rb1B O3 . 3 66.84(19)
O2 Rb1B O3 4_556 3 126.87(6)
O2 Rb1B O3 2 3 113.43(5)
O3 Rb1B O3 4_556 3 110.3(6)
O3 Rb1B O3 2 3 64.9(3)
O2 Rb1B O3 . 3 61.9(2)
O2 Rb1B O3 6_556 3 112.4(6)
O3 Rb1B O3 5_556 3 94.2(8)
Rb1B Rb1B H 2 . 135.3(8)
Rb1B Rb1B H 3 . 112.7(9)
O3 Rb1B H 6_556 . 117.3(12)
O3 Rb1B H . . 16.1(6)
O2 Rb1B H 4_556 . 65.2(9)
O2 Rb1B H 2 . 59.4(9)
O3 Rb1B H 4_556 . 111.3(10)
O3 Rb1B H 2 . 73.1(8)
O2 Rb1B H . . 61.4(8)
O2 Rb1B H 6_556 . 124.3(10)
O3 Rb1B H 5_556 . 173.7(9)
O3 Rb1B H 3 . 82.4(6)
Rb1B Rb1B H 2 6_556 112.7(9)
Rb1B Rb1B H 3 6_556 135.3(7)
O3 Rb1B H 6_556 6_556 16.1(6)
O3 Rb1B H . 6_556 117.3(12)
O2 Rb1B H 4_556 6_556 59.4(9)
O2 Rb1B H 2 6_556 65.2(9)
O3 Rb1B H 4_556 6_556 73.1(8)
O3 Rb1B H 2 6_556 111.3(9)
O2 Rb1B H . 6_556 124.3(11)
O2 Rb1B H 6_556 6_556 61.4(8)
O3 Rb1B H 5_556 6_556 82.4(6)
O3 Rb1B H 3 6_556 173.7(10)
H Rb1B H . 6_556 101.4(15)
Rb2B Rb2A Rb2B 3 2 116(2)
Rb2B Rb2A O3 3 . 134(3)
Rb2B Rb2A O3 2 . 99(3)
Rb2B Rb2A O3 3 2 99(3)
Rb2B Rb2A O3 2 2 65(3)
O3 Rb2A O3 . 2 69.31(13)
Rb2B Rb2A O3 3 3 65(3)
Rb2B Rb2A O3 2 3 134(3)
O3 Rb2A O3 . 3 69.31(13)
O3 Rb2A O3 2 3 69.31(13)
Rb2B Rb2A O1 3 25_546 140(3)
Rb2B Rb2A O1 2 25_546 34(2)
O3 Rb2A O1 . 25_546 85.60(6)
O3 Rb2A O1 2 25_546 89.21(6)
O3 Rb2A O1 3 25_546 151.25(17)
Rb2B Rb2A O1 3 26_566 34(2)
Rb2B Rb2A O1 2 26_566 82(2)
O3 Rb2A O1 . 26_566 151.25(17)
O3 Rb2A O1 2 26_566 85.60(6)
O3 Rb2A O1 3 26_566 89.21(6)
O1 Rb2A O1 25_546 26_566 108.60(10)
Rb2B Rb2A O1 3 27_346 82(2)
Rb2B Rb2A O1 2 27_346 140(3)
O3 Rb2A O1 . 27_346 89.21(6)
O3 Rb2A O1 2 27_346 151.25(17)
O3 Rb2A O1 3 27_346 85.60(6)
O1 Rb2A O1 25_546 27_346 108.60(10)
O1 Rb2A O1 26_566 27_346 108.59(10)
Rb2B Rb2A O4 3 30_445 98(3)
Rb2B Rb2A O4 2 30_445 53(3)
O3 Rb2A O4 . 30_445 126.63(6)
O3 Rb2A O4 2 30_445 117.83(6)
O3 Rb2A O4 3 30_445 163.52(11)
O1 Rb2A O4 25_546 30_445 44.75(6)
O1 Rb2A O4 26_566 30_445 77.05(10)
O1 Rb2A O4 27_346 30_445 90.14(12)
Rb2B Rb2A O4 3 28_455 86(3)
Rb2B Rb2A O4 2 28_455 98(3)
O3 Rb2A O4 . 28_455 117.83(6)
O3 Rb2A O4 2 28_455 163.52(11)
O3 Rb2A O4 3 28_455 126.63(6)
O1 Rb2A O4 25_546 28_455 77.05(10)
O1 Rb2A O4 26_566 28_455 90.14(12)
O1 Rb2A O4 27_346 28_455 44.75(6)
O4 Rb2A O4 30_445 28_455 45.71(8)
Rb2B Rb2A O4 3 29 53(3)
Rb2B Rb2A O4 2 29 86(3)
O3 Rb2A O4 . 29 163.52(11)
O3 Rb2A O4 2 29 126.63(6)
O3 Rb2A O4 3 29 117.83(6)
O1 Rb2A O4 25_546 29 90.14(12)
O1 Rb2A O4 26_566 29 44.75(6)
O1 Rb2A O4 27_346 29 77.05(10)
O4 Rb2A O4 30_445 29 45.71(8)
O4 Rb2A O4 28_455 29 45.71(8)
Rb2B Rb2A O1 3 3_665 26(3)
Rb2B Rb2A O1 2 3_665 117(2)
O3 Rb2A O1 . 3_665 112.37(15)
O3 Rb2A O1 2 3_665 76.69(8)
O3 Rb2A O1 3 3_665 44.11(5)
O1 Rb2A O1 25_546 3_665 150.55(6)
O1 Rb2A O1 26_566 3_665 45.46(6)
O1 Rb2A O1 27_346 3_665 95.29(5)
O4 Rb2A O1 30_445 3_665 120.81(10)
O4 Rb2A O1 28_455 3_665 111.19(9)
O4 Rb2A O1 29 3_665 78.40(6)
Rb2B Rb2A O1 3 1_455 117(2)
Rb2B Rb2A O1 2 1_455 126(2)
O3 Rb2A O1 . 1_455 44.11(5)
O3 Rb2A O1 2 1_455 112.37(15)
O3 Rb2A O1 3 1_455 76.69(8)
O1 Rb2A O1 25_546 1_455 95.29(5)
O1 Rb2A O1 26_566 1_455 150.54(6)
O1 Rb2A O1 27_346 1_455 45.46(6)
O4 Rb2A O1 30_445 1_455 111.19(9)
O4 Rb2A O1 28_455 1_455 78.40(6)
O4 Rb2A O1 29 1_455 120.81(10)
O1 Rb2A O1 3_665 1_455 113.93(7)
Rb2B Rb2A O1 3 2_545 126(2)
Rb2B Rb2A O1 2 2_545 26(3)
O3 Rb2A O1 . 2_545 76.69(8)
O3 Rb2A O1 2 2_545 44.11(5)
O3 Rb2A O1 3 2_545 112.37(15)
O1 Rb2A O1 25_546 2_545 45.46(6)
O1 Rb2A O1 26_566 2_545 95.29(5)
O1 Rb2A O1 27_346 2_545 150.55(6)
O4 Rb2A O1 30_445 2_545 78.40(6)
O4 Rb2A O1 28_455 2_545 120.81(10)
O4 Rb2A O1 29 2_545 111.19(9)
O1 Rb2A O1 3_665 2_545 113.93(7)
O1 Rb2A O1 1_455 2_545 113.93(7)
Rb2B Rb2A O3 3 25_446 126(3)
Rb2B Rb2A O3 2 25_446 74(3)
O3 Rb2A O3 . 25_446 89.86(5)
O3 Rb2A O3 2 25_446 129.48(6)
O3 Rb2A O3 3 25_446 145.79(7)
O1 Rb2A O3 25_546 25_446 42.24(6)
O1 Rb2A O3 26_566 25_446 117.63(15)
O1 Rb2A O3 27_346 25_446 66.65(8)
O4 Rb2A O3 30_445 25_446 42.47(6)
O4 Rb2A O3 28_455 25_446 40.66(6)
O4 Rb2A O3 29 25_446 76.43(11)
O1 Rb2A O3 3_665 25_446 151.71(14)
O1 Rb2A O3 1_455 25_446 69.64(5)
O1 Rb2A O3 2_545 25_446 87.30(5)
Rb2B Rb2B Rb2B 2 3 60.00(6)
Rb2B Rb2B O3 2 . 106.1(12)
Rb2B Rb2B O3 3 . 127.22(14)
Rb2B Rb2B O3 2 3 104.1(12)
Rb2B Rb2B O3 3 3 66.3(12)
O3 Rb2B O3 . 3 69.9(2)
Rb2B Rb2B O3 2 2 46.66(16)
Rb2B Rb2B O3 3 2 68.5(12)
O3 Rb2B O3 . 2 68.05(19)
O3 Rb2B O3 3 2 66.39(17)
Rb2B Rb2B O1 2 27_346 158.2(7)
Rb2B Rb2B O1 3 27_346 111(2)
O3 Rb2B O1 . 27_346 94.9(2)
O3 Rb2B O1 3 27_346 88.5(2)
O3 Rb2B O1 2 27_346 153.0(3)
Rb2B Rb2B O1 2 25_546 62.0(19)
Rb2B Rb2B O1 3 25_546 118.2(19)
O3 Rb2B O1 . 25_546 87.5(2)
O3 Rb2B O1 3 25_546 149.7(3)
O3 Rb2B O1 2 25_546 86.8(2)
O1 Rb2B O1 27_346 25_546 114.2(2)
Rb2B Rb2B O4 2 28_455 113.2(3)
Rb2B Rb2B O4 3 28_455 105.2(7)
O3 Rb2B O4 . 28_455 125.4(3)
O3 Rb2B O4 3 28_455 130.1(3)
O3 Rb2B O4 2 28_455 159.7(3)
O1 Rb2B O4 27_346 28_455 47.08(11)
O1 Rb2B O4 25_546 28_455 79.33(17)
Rb2B Rb2B O1 2 1_455 150.5(18)
Rb2B Rb2B O1 3 1_455 141.8(19)
O3 Rb2B O1 . 1_455 47.02(14)
O3 Rb2B O1 3 1_455 79.7(2)
O3 Rb2B O1 2 1_455 113.9(3)
O1 Rb2B O1 27_346 1_455 48.49(13)
O1 Rb2B O1 25_546 1_455 99.9(2)
O4 Rb2B O1 28_455 1_455 83.29(17)
Rb2B Rb2B As 2 27_456 132.4(6)
Rb2B Rb2B As 3 27_456 98.8(15)
O3 Rb2B As . 27_456 119.4(2)
O3 Rb2B As 3 27_456 104.1(2)
O3 Rb2B As 2 27_456 166.2(3)
O1 Rb2B As 27_346 27_456 25.78(7)
O1 Rb2B As 25_546 27_456 104.6(2)
O4 Rb2B As 28_455 27_456 26.18(6)
O1 Rb2B As 1_455 27_456 72.35(15)
Rb2B Rb2B As 2 25_446 75.0(15)
Rb2B Rb2B As 3 25_446 117.0(13)
O3 Rb2B As . 25_446 105.0(2)
O3 Rb2B As 3 25_446 174.4(3)
O3 Rb2B As 2 25_446 110.1(2)
O1 Rb2B As 27_346 25_446 94.17(18)
O1 Rb2B As 25_546 25_446 25.24(7)
O4 Rb2B As 28_455 25_446 54.35(12)
O1 Rb2B As 1_455 25_446 98.42(18)
As Rb2B As 27_456 25_446 80.12(15)
Rb2B Rb2B As 2 . 129.9(12)
Rb2B Rb2B As 3 . 133.2(10)
O3 Rb2B As . . 23.86(9)
O3 Rb2B As 3 . 67.16(17)
O3 Rb2B As 2 . 89.1(2)
O1 Rb2B As 27_346 . 71.31(17)
O1 Rb2B As 25_546 . 100.0(2)
O4 Rb2B As 28_455 . 107.7(2)
O1 Rb2B As 1_455 . 24.73(7)
As Rb2B As 27_456 . 96.34(18)
As Rb2B As 25_446 . 109.1(2)
O2 In1 O2 2_565 3 92.65(7)
O2 In1 O2 2_565 1_665 92.65(7)
O2 In1 O2 3 1_665 92.65(7)
O2 In1 O4 2_565 1_565 91.95(7)
O2 In1 O4 3 1_565 173.42(7)
O2 In1 O4 1_665 1_565 91.82(7)
O2 In1 O4 2_565 2 91.82(7)
O2 In1 O4 3 2 91.95(7)
O2 In1 O4 1_665 2 173.42(7)
O4 In1 O4 1_565 2 83.21(7)
O2 In1 O4 2_565 3_665 173.42(7)
O2 In1 O4 3 3_665 91.82(7)
O2 In1 O4 1_665 3_665 91.95(7)
O4 In1 O4 1_565 3_665 83.21(7)
O4 In1 O4 2 3_665 83.21(7)
O2 In1 Rb2A 2_565 34 123.37(5)
O2 In1 Rb2A 3 34 123.36(5)
O2 In1 Rb2A 1_665 34 123.36(5)
O4 In1 Rb2A 1_565 34 50.06(5)
O4 In1 Rb2A 2 34 50.06(5)
O4 In1 Rb2A 3_665 34 50.06(5)
O2 In1 Rb1A 2_565 1_565 32.08(5)
O2 In1 Rb1A 3 1_565 107.92(5)
O2 In1 Rb1A 1_665 1_565 118.90(5)
O4 In1 Rb1A 1_565 1_565 73.96(4)
O4 In1 Rb1A 2 1_565 63.88(4)
O4 In1 Rb1A 3_665 1_565 141.47(5)
Rb2A In1 Rb1A 34 1_565 91.955(3)
O2 In1 Rb1A 2_565 . 118.90(5)
O2 In1 Rb1A 3 . 32.08(5)
O2 In1 Rb1A 1_665 . 107.92(5)
O4 In1 Rb1A 1_565 . 141.47(5)
O4 In1 Rb1A 2 . 73.96(4)
O4 In1 Rb1A 3_665 . 63.88(5)
Rb2A In1 Rb1A 34 . 91.954(3)
Rb1A In1 Rb1A 1_565 . 119.9
O2 In1 Rb1A 2_565 1_665 107.92(5)
O2 In1 Rb1A 3 1_665 118.90(5)
O2 In1 Rb1A 1_665 1_665 32.08(5)
O4 In1 Rb1A 1_565 1_665 63.88(5)
O4 In1 Rb1A 2 1_665 141.47(5)
O4 In1 Rb1A 3_665 1_665 73.96(5)
Rb2A In1 Rb1A 34 1_665 91.954(3)
Rb1A In1 Rb1A 1_565 1_665 119.9
Rb1A In1 Rb1A . 1_665 119.9
O1 In2 O1 26_566 27_456 96.52(7)
O1 In2 O1 26_566 2 180.0
O1 In2 O1 27_456 2 83.48(7)
O1 In2 O1 26_566 3_665 83.48(7)
O1 In2 O1 27_456 3_665 180.0
O1 In2 O1 2 3_665 96.52(7)
O1 In2 O1 26_566 1_565 83.48(7)
O1 In2 O1 27_456 1_565 83.48(7)
O1 In2 O1 2 1_565 96.52(7)
O1 In2 O1 3_665 1_565 96.52(7)
O1 In2 O1 26_566 25_556 96.52(7)
O1 In2 O1 27_456 25_556 96.52(7)
O1 In2 O1 2 25_556 83.48(7)
O1 In2 O1 3_665 25_556 83.48(7)
O1 In2 O1 1_565 25_556 180.0
O1 In2 Rb2A 26_566 25_556 47.93(8)
O1 In2 Rb2A 27_456 25_556 80.47(7)
O1 In2 Rb2A 2 25_556 132.07(8)
O1 In2 Rb2A 3_665 25_556 99.53(7)
O1 In2 Rb2A 1_565 25_556 37.05(8)
O1 In2 Rb2A 25_556 25_556 142.95(8)
O1 In2 Rb2A 26_566 1_565 132.07(8)
O1 In2 Rb2A 27_456 1_565 99.53(7)
O1 In2 Rb2A 2 1_565 47.93(8)
O1 In2 Rb2A 3_665 1_565 80.47(7)
O1 In2 Rb2A 1_565 1_565 142.95(8)
O1 In2 Rb2A 25_556 1_565 37.05(8)
Rb2A In2 Rb2A 25_556 1_565 180.0
O1 In2 Rb2A 26_566 . 37.05(8)
O1 In2 Rb2A 27_456 . 132.07(8)
O1 In2 Rb2A 2 . 142.95(8)
O1 In2 Rb2A 3_665 . 47.93(8)
O1 In2 Rb2A 1_565 . 80.47(7)
O1 In2 Rb2A 25_556 . 99.53(7)
Rb2A In2 Rb2A 25_556 . 60.060(6)
Rb2A In2 Rb2A 1_565 . 119.940(6)
O1 In2 Rb2A 26_566 1_665 99.53(7)
O1 In2 Rb2A 27_456 1_665 37.05(8)
O1 In2 Rb2A 2 1_665 80.47(7)
O1 In2 Rb2A 3_665 1_665 142.95(8)
O1 In2 Rb2A 1_565 1_665 47.93(8)
O1 In2 Rb2A 25_556 1_665 132.07(8)
Rb2A In2 Rb2A 25_556 1_665 60.060(6)
Rb2A In2 Rb2A 1_565 1_665 119.940(7)
Rb2A In2 Rb2A . 1_665 119.940(6)
O1 In2 Rb2A 26_566 25_456 80.47(7)
O1 In2 Rb2A 27_456 25_456 142.95(8)
O1 In2 Rb2A 2 25_456 99.53(7)
O1 In2 Rb2A 3_665 25_456 37.05(8)
O1 In2 Rb2A 1_565 25_456 132.07(8)
O1 In2 Rb2A 25_556 25_456 47.93(8)
Rb2A In2 Rb2A 25_556 25_456 119.940(6)
Rb2A In2 Rb2A 1_565 25_456 60.060(6)
Rb2A In2 Rb2A . 25_456 60.061(6)
Rb2A In2 Rb2A 1_665 25_456 180.0
O1 In2 Rb2A 26_566 25_566 142.95(8)
O1 In2 Rb2A 27_456 25_566 47.93(8)
O1 In2 Rb2A 2 25_566 37.05(8)
O1 In2 Rb2A 3_665 25_566 132.07(8)
O1 In2 Rb2A 1_565 25_566 99.53(7)
O1 In2 Rb2A 25_556 25_566 80.47(7)
Rb2A In2 Rb2A 25_556 25_566 119.940(7)
Rb2A In2 Rb2A 1_565 25_566 60.060(6)
Rb2A In2 Rb2A . 25_566 180.0
Rb2A In2 Rb2A 1_665 25_566 60.061(6)
Rb2A In2 Rb2A 25_456 25_566 119.939(6)
O1 As O2 1_455 . 116.08(10)
O1 As O4 1_455 6_556 109.85(10)
O2 As O4 . 6_556 113.73(8)
O1 As O3 1_455 . 104.27(10)
O2 As O3 . . 104.94(9)
O4 As O3 6_556 . 106.99(8)
O1 As Rb1B 1_455 3 133.87(15)
O2 As Rb1B . 3 51.9(5)
O4 As Rb1B 6_556 3 115.4(2)
O3 As Rb1B . 3 54.3(4)
O1 As Rb1B 1_455 . 138.5(3)
O2 As Rb1B . . 62.1(4)
O4 As Rb1B 6_556 . 107.4(4)
O3 As Rb1B . . 46.49(19)
Rb1B As Rb1B 3 . 11.6(9)
O1 As Rb2B 1_455 26_446 59.16(16)
O2 As Rb2B . 26_446 175.06(16)
O4 As Rb2B 6_556 26_446 68.35(14)
O3 As Rb2B . 26_446 78.23(14)
Rb1B As Rb2B 3 26_446 131.9(5)
Rb1B As Rb2B . 26_446 122.0(3)
O1 As Rb2B 1_455 25_446 62.57(15)
O2 As Rb2B . 25_446 175.80(17)
O4 As Rb2B 6_556 25_446 70.24(15)
O3 As Rb2B . 25_446 72.08(14)
Rb1B As Rb2B 3 25_446 125.7(4)
Rb1B As Rb2B . 25_446 115.9(3)
Rb2B As Rb2B 26_446 25_446 6.2(2)
O1 As Rb1A 1_455 . 134.73(9)
O2 As Rb1A . . 57.74(6)
O4 As Rb1A 6_556 . 112.84(6)
O3 As Rb1A . . 48.98(7)
Rb1B As Rb1A 3 . 6.0(4)
Rb1B As Rb1A . . 6.2(5)
Rb2B As Rb1A 26_446 . 126.16(13)
Rb2B As Rb1A 25_446 . 119.97(12)
O1 As Rb2A 1_455 25_446 61.31(9)
O2 As Rb2A . 25_446 177.30(9)
O4 As Rb2A 6_556 25_446 68.43(8)
O3 As Rb2A . 25_446 75.58(7)
Rb1B As Rb2A 3 25_446 129.1(4)
Rb1B As Rb2A . 25_446 119.2(3)
Rb2B As Rb2A 26_446 25_446 2.88(15)
Rb2B As Rb2A 25_446 25_446 3.52(13)
Rb1A As Rb2A . 25_446 123.340(18)
O1 As Rb2B 1_455 . 66.15(14)
O2 As Rb2B . . 104.87(14)
O4 As Rb2B 6_556 . 137.04(14)
O3 As Rb2B . . 42.56(14)
Rb1B As Rb2B 3 . 74.7(2)
Rb1B As Rb2B . . 74.33(18)
Rb2B As Rb2B 26_446 . 74.78(3)
Rb2B As Rb2B 25_446 . 70.9(2)
Rb1A As Rb2B . . 72.61(11)
Rb2A As Rb2B 25_446 . 73.66(14)
O1 As Rb2B 1_455 27_446 63.55(13)
O2 As Rb2B . 27_446 178.70(16)
O4 As Rb2B 6_556 27_446 65.54(13)
O3 As Rb2B . 27_446 76.36(14)
Rb1B As Rb2B 3 27_446 129.3(5)
Rb1B As Rb2B . 27_446 119.0(4)
Rb2B As Rb2B 26_446 27_446 4.39(15)
Rb2B As Rb2B 25_446 27_446 5.30(19)
Rb1A As Rb2B . 27_446 123.48(12)
Rb2A As Rb2B 25_446 27_446 2.94(15)
Rb2B As Rb2B . 27_446 76.18(18)
As O1 In2 1_655 1_545 142.20(12)
As O1 Rb2B 1_655 26_546 95.06(18)
In2 O1 Rb2B 1_545 26_546 119.53(18)
As O1 Rb2B 1_655 25_546 92.19(16)
In2 O1 Rb2B 1_545 25_546 123.76(15)
Rb2B O1 Rb2B 26_546 25_546 6.6(3)
As O1 Rb2A 1_655 25_546 93.97(12)
In2 O1 Rb2A 1_545 25_546 121.16(11)
Rb2B O1 Rb2A 26_546 25_546 2.47(17)
Rb2B O1 Rb2A 25_546 25_546 4.12(14)
As O1 Rb2B 1_655 1_655 89.12(16)
In2 O1 Rb2B 1_545 1_655 106.82(16)
Rb2B O1 Rb2B 26_546 1_655 86.07(7)
Rb2B O1 Rb2B 25_546 1_655 80.1(2)
Rb2A O1 Rb2B 25_546 1_655 83.83(15)
As O1 Rb2A 1_655 1_655 87.55(12)
In2 O1 Rb2A 1_545 1_655 107.67(9)
Rb2B O1 Rb2A 26_546 1_655 86.97(17)
Rb2B O1 Rb2A 25_546 1_655 80.92(17)
Rb2A O1 Rb2A 25_546 1_655 84.71(5)
Rb2B O1 Rb2A 1_655 1_655 1.7(2)
As O1 Rb2A 1_655 1_545 110.41(11)
In2 O1 Rb2A 1_545 1_545 74.80(7)
Rb2B O1 Rb2A 26_546 1_545 65.58(17)
Rb2B O1 Rb2A 25_546 1_545 72.13(14)
Rb2A O1 Rb2A 25_546 1_545 68.03(4)
Rb2B O1 Rb2A 1_655 1_545 146.21(11)
Rb2A O1 Rb2A 1_655 1_545 147.76(12)
As O2 In1 . 1_445 123.06(9)
As O2 Rb1B . 3 102.0(4)
In1 O2 Rb1B 1_445 3 124.8(3)
As O2 Rb1A . . 97.07(7)
In1 O2 Rb1A 1_445 . 127.94(7)
Rb1B O2 Rb1A 3 . 5.1(4)
As O2 Rb1B . . 91.5(4)
In1 O2 Rb1B 1_445 . 128.91(9)
Rb1B O2 Rb1B 3 . 12.4(9)
Rb1A O2 Rb1B . . 7.5(5)
As O2 Rb2A . . 56.91(5)
In1 O2 Rb2A 1_445 . 162.73(8)
Rb1B O2 Rb2A 3 . 68.43(19)
Rb1A O2 Rb2A . . 66.24(6)
Rb1B O2 Rb2A . . 66.61(7)
As O3 Rb1B . . 107.13(15)
As O3 Rb2B . . 113.58(18)
Rb1B O3 Rb2B . . 107.8(5)
As O3 Rb2A . . 117.21(9)
Rb1B O3 Rb2A . . 103.8(4)
Rb2B O3 Rb2A . . 4.46(18)
As O3 Rb1B . 3 98.0(5)
Rb1B O3 Rb1B . 3 14.3(10)
Rb2B O3 Rb1B . 3 102.66(17)
Rb2A O3 Rb1B . 3 99.24(11)
As O3 Rb1A . . 105.44(8)
Rb1B O3 Rb1A . . 7.6(6)
Rb2B O3 Rb1A . . 102.30(16)
Rb2A O3 Rb1A . . 98.50(9)
Rb1B O3 Rb1A 3 . 8.2(6)
As O3 Rb2B . 2 121.23(19)
Rb1B O3 Rb2B . 2 103.8(4)
Rb2B O3 Rb2B . 2 7.6(3)
Rb2A O3 Rb2B . 2 4.62(15)
Rb1B O3 Rb2B 3 2 100.4(2)
Rb1A O3 Rb2B . 2 99.01(18)
As O3 Rb2B . 3 115.94(17)
Rb1B O3 Rb2B . 3 101.7(5)
Rb2B O3 Rb2B . 3 6.1(2)
Rb2A O3 Rb2B . 3 3.2(2)
Rb1B O3 Rb2B 3 3 96.67(18)
Rb1A O3 Rb2B . 3 96.23(18)
Rb2B O3 Rb2B 2 3 7.4(2)
As O3 Rb1B . 2 110.6(3)
Rb1B O3 Rb1B . 2 10.9(8)
Rb2B O3 Rb1B . 2 97.1(4)
Rb2A O3 Rb1B . 2 93.2(4)
Rb1B O3 Rb1B 3 2 12.6(9)
Rb1A O3 Rb1B . 2 6.0(4)
Rb2B O3 Rb1B 2 2 93.5(4)
Rb2B O3 Rb1B 3 2 91.0(4)
As O3 Rb2A . 25_446 78.72(7)
Rb1B O3 Rb2A . 25_446 159.5(6)
Rb2B O3 Rb2A . 25_446 86.8(2)
Rb2A O3 Rb2A . 25_446 90.14(5)
Rb1B O3 Rb2A 3 25_446 170.52(10)
Rb1A O3 Rb2A . 25_446 167.05(8)
Rb2B O3 Rb2A 2 25_446 88.8(2)
Rb2B O3 Rb2A 3 25_446 92.8(2)
Rb1B O3 Rb2A 2 25_446 167.03(11)
As O3 H . . 108(3)
Rb1B O3 H . . 92(3)
Rb2B O3 H . . 125(3)
Rb2A O3 H . . 124(3)
Rb1B O3 H 3 . 105(3)
Rb1A O3 H . . 99(3)
Rb2B O3 H 2 . 120(3)
Rb2B O3 H 3 . 127(3)
Rb1B O3 H 2 . 100(3)
Rb2A O3 H 25_446 . 68(3)
As O4 In1 6_556 1_545 127.87(9)
As O4 Rb2B 6_556 34_545 85.47(16)
In1 O4 Rb2B 1_545 34_545 106.35(17)
As O4 Rb2A 6_556 34_545 86.47(7)
In1 O4 Rb2A 1_545 34_545 103.30(7)
Rb2B O4 Rb2A 34_545 34_545 3.25(18)
As O4 Rb1A 6_556 1_655 131.05(7)
In1 O4 Rb1A 1_545 1_655 90.25(5)
Rb2B O4 Rb1A 34_545 1_655 115.02(15)
Rb2A O4 Rb1A 34_545 1_655 116.54(4)
As O4 Rb1A 6_556 . 48.38(5)
In1 O4 Rb1A 1_545 . 80.54(5)
Rb2B O4 Rb1A 34_545 . 109.65(15)
Rb2A O4 Rb1A 34_545 . 108.26(4)
Rb1A O4 Rb1A 1_655 . 135.18(4)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Rb1A Rb1B 2 0.44(3) ?
Rb1A Rb1B 3 0.44(3) ?
Rb1A O3 5_556 3.042(2) y
Rb1A O3 2 3.042(2) y
Rb1A O3 4_556 3.042(2) y
Rb1A O3 6_556 3.042(2) y
Rb1A O3 3 3.042(2) y
Rb1A O3 . 3.042(2) y
Rb1A O2 . 3.3114(19) y
Rb1A O2 6_556 3.3115(19) y
Rb1A O2 4_556 3.3114(19) y
Rb1A O2 3 3.3114(19) y
Rb1A O2 5_556 3.3114(18) y
Rb1A O2 2 3.3114(18) y
Rb1A As 5_556 3.8862(5) ?
Rb1A H . 3.28(4) ?
Rb1A H 2 3.28(4) ?
Rb1A H 3 3.28(4) ?
Rb1A H 4_556 3.28(4) ?
Rb1A H 5_556 3.28(4) ?
Rb1A H 6_556 3.28(4) ?
Rb1B Rb1B 2 0.76(6) ?
Rb1B Rb1B 3 0.76(5) ?
Rb1B O3 6_556 2.842(12) ?
Rb1B O3 . 2.842(12) ?
Rb1B O2 4_556 2.98(2) ?
Rb1B O2 2 2.98(2) ?
Rb1B O3 4_556 3.035(3) ?
Rb1B O3 2 3.035(3) ?
Rb1B O2 . 3.312(3) ?
Rb1B O2 6_556 3.312(3) ?
Rb1B O3 5_556 3.32(2) ?
Rb1B O3 3 3.32(2) ?
Rb1B H . 2.99(4) ?
Rb1B H 6_556 2.99(4) ?
Rb2A Rb2B 3 0.249(8) ?
Rb2A Rb2B 2 0.249(8) ?
Rb2A O3 . 3.006(5) y
Rb2A O3 2 3.006(5) y
Rb2A O3 3 3.006(5) y
Rb2A O1 25_546 3.462(3) y
Rb2A O1 26_566 3.462(3) y
Rb2A O1 27_346 3.462(3) y
Rb2A O4 30_445 3.668(5) y
Rb2A O4 28_455 3.668(5) y
Rb2A O4 29 3.668(5) y
Rb2A O1 3_665 3.830(3) y
Rb2A O1 1_455 3.830(3) y
Rb2A O1 2_545 3.830(3) y
Rb2A O3 25_446 3.888(4) ?
Rb2B Rb2B 2 0.423(14) ?
Rb2B Rb2B 3 0.423(14) ?
Rb2B O3 . 2.911(9) ?
Rb2B O3 3 3.056(9) ?
Rb2B O3 2 3.185(8) ?
Rb2B O1 27_346 3.259(8) ?
Rb2B O1 25_546 3.436(9) ?
Rb2B O4 28_455 3.525(8) ?
Rb2B O1 1_455 3.608(9) ?
Rb2B As 27_456 3.781(8) ?
Rb2B As 25_446 3.869(8) ?
Rb2B As . 3.945(9) ?
In1 O2 2_565 2.1306(17) y
In1 O2 3 2.1306(17) y
In1 O2 1_665 2.1306(17) y
In1 O4 1_565 2.1457(17) y
In1 O4 2 2.1457(16) y
In1 O4 3_665 2.1457(16) y
In2 O1 26_566 2.1312(19) y
In2 O1 27_456 2.131(2) y
In2 O1 2 2.1312(19) y
In2 O1 3_665 2.131(2) y
In2 O1 1_565 2.1312(19) y
In2 O1 25_556 2.1312(19) y
As O1 1_455 1.6508(18) y
As O2 . 1.6668(17) y
As O4 6_556 1.6736(17) y
As O3 . 1.7409(19) y
O3 H . 0.83(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O3 H O4 4_546 0.83(3) 1.82(3) 2.634(2) 168(4)
