# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2055699'
loop_
_audit_author_name
_audit_author_address
'Qinke Xu'
;Tongji University
China
;
_audit_update_record             
;
2021-02-25 deposited with the CCDC.	2021-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         Rb3In(SO4)3
_chemical_formula_sum            'In3 O36 Rb9 S9'
_chemical_formula_weight         1978.23

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
In In -0.7276 1.3100 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           trigonal
_symmetry_space_group_name_H-M   R3c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z+1/2'
'x, x-y, z+1/2'
'-x+y, 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+2/3, x-y+1/3, z+5/6'
'-x+y+2/3, 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+1/3, x-y+2/3, z+7/6'
'-x+y+1/3, y+2/3, z+7/6'

_cell_length_a                   15.4243(4)
_cell_length_b                   15.4243(4)
_cell_length_c                   9.1510(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     1885.43(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    5854
_cell_measurement_theta_min      2.6412
_cell_measurement_theta_max      27.0951

_exptl_crystal_description       rod-like
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.485
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1824
_exptl_absorpt_coefficient_mu    13.975
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4525
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6843
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.64
_diffrn_reflns_theta_max         27.09
_reflns_number_total             902
_reflns_number_gt                896
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0308P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.020(9)
_refine_ls_number_reflns         902
_refine_ls_number_parameters     59
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0182
_refine_ls_wR_factor_ref         0.0551
_refine_ls_wR_factor_gt          0.0550
_refine_ls_goodness_of_fit_ref   1.191
_refine_ls_restrained_S_all      1.190
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
In1 In 1.0000 1.0000 0.49274(7) 0.02312(14) Uani 1 3 d S . .
S3 S 0.85595(6) 0.82384(7) 0.74246(10) 0.0191(2) Uani 1 1 d . . .
O1 O 0.8767(3) 0.8962(3) 0.6234(4) 0.0454(10) Uani 1 1 d . . .
O2 O 0.7496(3) 0.7556(3) 0.7451(8) 0.0654(14) Uani 1 1 d . . .
O3 O 0.8804(4) 0.8784(5) 0.8801(5) 0.0718(16) Uani 1 1 d . . .
O4 O 0.9113(5) 0.7736(4) 0.7217(8) 0.088(2) Uani 1 1 d . . .
Rb2 Rb 0.88391(3) 0.63498(3) 0.94409(6) 0.03544(14) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
In1 O3 2.128(5) 6_654 ?
In1 O3 2.128(5) 4_774 ?
In1 O3 2.128(5) 5_564 ?
In1 O1 2.137(4) 2_765 ?
In1 O1 2.137(4) 3_675 ?
In1 O1 2.137(4) . ?
In1 Rb2 4.2954(5) 14_654 ?
In1 Rb2 4.2955(5) 13_554 ?
In1 Rb2 4.2955(5) 15_664 ?
S3 O4 1.424(4) . ?
S3 O2 1.440(4) . ?
S3 O3 1.455(4) . ?
S3 O1 1.475(4) . ?
S3 Rb2 3.5782(10) 14_654 ?
S3 Rb2 3.6515(11) . ?
S3 Rb2 3.7210(11) 6_654 ?
O1 Rb2 2.914(4) 14_654 ?
O2 Rb2 2.907(4) 11_454 ?
O2 Rb2 3.190(6) 14_654 ?
O2 Rb2 3.331(6) 6_654 ?
O2 Rb2 3.511(7) 16_664 ?
O3 In1 2.128(5) 4_775 ?
O3 Rb2 3.221(5) 16_664 ?
O4 Rb2 2.793(5) 15_664 ?
O4 Rb2 2.827(5) . ?
O4 Rb2 3.442(9) 6_654 ?
Rb2 O4 2.793(5) 8_655 ?
Rb2 O2 2.907(4) 17_554 ?
Rb2 O1 2.914(4) 9_565 ?
Rb2 O2 3.190(6) 9_565 ?
Rb2 O3 3.221(5) 10_664 ?
Rb2 O2 3.331(6) 6_655 ?
Rb2 O4 3.442(9) 6_655 ?
Rb2 O2 3.511(7) 10_664 ?
Rb2 S3 3.5783(10) 9_565 ?
Rb2 S3 3.7210(11) 6_655 ?

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
O3 In1 O3 98.49(18) 6_654 4_774 ?
O3 In1 O3 98.49(18) 6_654 5_564 ?
O3 In1 O3 98.49(18) 4_774 5_564 ?
O3 In1 O1 80.14(18) 6_654 2_765 ?
O3 In1 O1 89.7(2) 4_774 2_765 ?
O3 In1 O1 171.8(2) 5_564 2_765 ?
O3 In1 O1 171.8(2) 6_654 3_675 ?
O3 In1 O1 80.14(18) 4_774 3_675 ?
O3 In1 O1 89.7(2) 5_564 3_675 ?
O1 In1 O1 91.72(17) 2_765 3_675 ?
O3 In1 O1 89.7(2) 6_654 . ?
O3 In1 O1 171.8(2) 4_774 . ?
O3 In1 O1 80.14(18) 5_564 . ?
O1 In1 O1 91.72(17) 2_765 . ?
O1 In1 O1 91.72(17) 3_675 . ?
O3 In1 Rb2 108.6(2) 6_654 14_654 ?
O3 In1 Rb2 137.4(2) 4_774 14_654 ?
O3 In1 Rb2 46.40(13) 5_564 14_654 ?
O1 In1 Rb2 126.22(13) 2_765 14_654 ?
O1 In1 Rb2 77.18(11) 3_675 14_654 ?
O1 In1 Rb2 37.70(11) . 14_654 ?
O3 In1 Rb2 137.4(2) 6_654 13_554 ?
O3 In1 Rb2 46.40(13) 4_774 13_554 ?
O3 In1 Rb2 108.58(19) 5_564 13_554 ?
O1 In1 Rb2 77.18(11) 2_765 13_554 ?
O1 In1 Rb2 37.71(11) 3_675 13_554 ?
O1 In1 Rb2 126.22(13) . 13_554 ?
Rb2 In1 Rb2 113.904(9) 14_654 13_554 ?
O3 In1 Rb2 46.40(13) 6_654 15_664 ?
O3 In1 Rb2 108.58(19) 4_774 15_664 ?
O3 In1 Rb2 137.4(2) 5_564 15_664 ?
O1 In1 Rb2 37.71(11) 2_765 15_664 ?
O1 In1 Rb2 126.22(13) 3_675 15_664 ?
O1 In1 Rb2 77.18(11) . 15_664 ?
Rb2 In1 Rb2 113.902(9) 14_654 15_664 ?
Rb2 In1 Rb2 113.902(9) 13_554 15_664 ?
O4 S3 O2 112.3(4) . . ?
O4 S3 O3 112.2(5) . . ?
O2 S3 O3 106.2(3) . . ?
O4 S3 O1 110.5(3) . . ?
O2 S3 O1 107.6(3) . . ?
O3 S3 O1 107.8(3) . . ?
O4 S3 Rb2 151.8(3) . 14_654 ?
O2 S3 Rb2 62.8(2) . 14_654 ?
O3 S3 Rb2 95.4(3) . 14_654 ?
O1 S3 Rb2 52.09(15) . 14_654 ?
O4 S3 Rb2 44.9(2) . . ?
O2 S3 Rb2 87.4(3) . . ?
O3 S3 Rb2 85.6(3) . . ?
O1 S3 Rb2 155.36(18) . . ?
Rb2 S3 Rb2 149.35(3) 14_654 . ?
O4 S3 Rb2 67.7(4) . 6_654 ?
O2 S3 Rb2 63.2(3) . 6_654 ?
O3 S3 Rb2 166.6(2) . 6_654 ?
O1 S3 Rb2 84.00(19) . 6_654 ?
Rb2 S3 Rb2 86.97(2) 14_654 6_654 ?
Rb2 S3 Rb2 85.68(2) . 6_654 ?
S3 O1 In1 139.0(2) . . ?
S3 O1 Rb2 104.37(18) . 14_654 ?
In1 O1 Rb2 115.65(15) . 14_654 ?
S3 O2 Rb2 165.3(4) . 11_454 ?
S3 O2 Rb2 93.5(2) . 14_654 ?
Rb2 O2 Rb2 101.22(16) 11_454 14_654 ?
S3 O2 Rb2 94.1(3) . 6_654 ?
Rb2 O2 Rb2 82.49(13) 11_454 6_654 ?
Rb2 O2 Rb2 100.78(19) 14_654 6_654 ?
S3 O2 Rb2 99.8(3) . 16_664 ?
Rb2 O2 Rb2 79.37(13) 11_454 16_664 ?
Rb2 O2 Rb2 96.75(15) 14_654 16_664 ?
Rb2 O2 Rb2 156.87(15) 6_654 16_664 ?
S3 O3 In1 142.1(3) . 4_775 ?
S3 O3 Rb2 112.8(3) . 16_664 ?
In1 O3 Rb2 105.03(15) 4_775 16_664 ?
S3 O4 Rb2 147.1(3) . 15_664 ?
S3 O4 Rb2 114.3(3) . . ?
Rb2 O4 Rb2 94.44(15) 15_664 . ?
S3 O4 Rb2 89.8(4) . 6_654 ?
Rb2 O4 Rb2 97.72(19) 15_664 6_654 ?
Rb2 O4 Rb2 105.8(2) . 6_654 ?
O4 Rb2 O4 152.9(3) 8_655 . ?
O4 Rb2 O2 68.43(18) 8_655 17_554 ?
O4 Rb2 O2 94.33(17) . 17_554 ?
O4 Rb2 O1 68.51(14) 8_655 9_565 ?
O4 Rb2 O1 115.64(19) . 9_565 ?
O2 Rb2 O1 131.92(14) 17_554 9_565 ?
O4 Rb2 O2 98.23(18) 8_655 9_565 ?
O4 Rb2 O2 102.28(15) . 9_565 ?
O2 Rb2 O2 162.0(2) 17_554 9_565 ?
O1 Rb2 O2 45.05(10) 9_565 9_565 ?
O4 Rb2 O3 69.97(17) 8_655 10_664 ?
O4 Rb2 O3 91.01(19) . 10_664 ?
O2 Rb2 O3 92.52(16) 17_554 10_664 ?
O1 Rb2 O3 52.87(12) 9_565 10_664 ?
O2 Rb2 O3 94.07(14) 9_565 10_664 ?
O4 Rb2 O2 86.26(14) 8_655 6_655 ?
O4 Rb2 O2 110.11(19) . 6_655 ?
O2 Rb2 O2 75.19(8) 17_554 6_655 ?
O1 Rb2 O2 121.81(14) 9_565 6_655 ?
O2 Rb2 O2 92.40(16) 9_565 6_655 ?
O3 Rb2 O2 156.02(14) 10_664 6_655 ?
O4 Rb2 O4 111.0(2) 8_655 6_655 ?
O4 Rb2 O4 94.91(14) . 6_655 ?
O2 Rb2 O4 114.46(15) 17_554 6_655 ?
O1 Rb2 O4 100.15(10) 9_565 6_655 ?
O2 Rb2 O4 57.69(12) 9_565 6_655 ?
O3 Rb2 O4 151.75(12) 10_664 6_655 ?
O2 Rb2 O4 41.06(11) 6_655 6_655 ?
O4 Rb2 O2 94.4(2) 8_655 10_664 ?
O4 Rb2 O2 59.64(15) . 10_664 ?
O2 Rb2 O2 72.37(13) 17_554 10_664 ?
O1 Rb2 O2 90.68(10) 9_565 10_664 ?
O2 Rb2 O2 122.24(14) 9_565 10_664 ?
O3 Rb2 O2 39.94(9) 10_664 10_664 ?
O2 Rb2 O2 144.71(10) 6_655 10_664 ?
O4 Rb2 O2 154.50(11) 6_655 10_664 ?
O4 Rb2 S3 77.65(14) 8_655 9_565 ?
O4 Rb2 S3 117.37(13) . 9_565 ?
O2 Rb2 S3 146.08(12) 17_554 9_565 ?
O1 Rb2 S3 23.54(7) 9_565 9_565 ?
O2 Rb2 S3 23.68(7) 9_565 9_565 ?
O3 Rb2 S3 76.14(9) 10_664 9_565 ?
O2 Rb2 S3 102.50(11) 6_655 9_565 ?
O4 Rb2 S3 76.61(7) 6_655 9_565 ?
O2 Rb2 S3 112.13(7) 10_664 9_565 ?
O4 Rb2 S3 170.23(13) 8_655 . ?
O4 Rb2 S3 20.81(9) . . ?
O2 Rb2 S3 112.20(12) 17_554 . ?
O1 Rb2 S3 106.72(10) 9_565 . ?
O2 Rb2 S3 83.05(10) 9_565 . ?
O3 Rb2 S3 100.31(11) 10_664 . ?
O2 Rb2 S3 103.39(7) 6_655 . ?
O4 Rb2 S3 77.91(8) 6_655 . ?
O2 Rb2 S3 76.87(10) 10_664 . ?
S3 Rb2 S3 101.34(3) 9_565 . ?
O4 Rb2 S3 106.66(14) 8_655 6_655 ?
O4 Rb2 S3 94.25(15) . 6_655 ?
O2 Rb2 S3 92.15(13) 17_554 6_655 ?
O1 Rb2 S3 120.01(7) 9_565 6_655 ?
O2 Rb2 S3 79.85(10) 9_565 6_655 ?
O3 Rb2 S3 172.68(8) 10_664 6_655 ?
O2 Rb2 S3 22.70(7) 6_655 6_655 ?
O4 Rb2 S3 22.49(7) 6_655 6_655 ?
O2 Rb2 S3 147.30(7) 10_664 6_655 ?
S3 Rb2 S3 96.88(3) 9_565 6_655 ?
S3 Rb2 S3 83.11(2) . 6_655 ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 S3 O1 In1 -38.1(6) . . . . ?
O2 S3 O1 In1 -161.0(4) . . . . ?
O3 S3 O1 In1 84.8(5) . . . . ?
Rb2 S3 O1 In1 167.6(6) 14_654 . . . ?
Rb2 S3 O1 In1 -35.8(8) . . . . ?
Rb2 S3 O1 In1 -101.6(4) 6_654 . . . ?
O4 S3 O1 Rb2 154.3(4) . . . 14_654 ?
O2 S3 O1 Rb2 31.4(3) . . . 14_654 ?
O3 S3 O1 Rb2 -82.8(3) . . . 14_654 ?
Rb2 S3 O1 Rb2 156.6(3) . . . 14_654 ?
Rb2 S3 O1 Rb2 90.83(15) 6_654 . . 14_654 ?
O3 In1 O1 S3 71.5(5) 6_654 . . . ?
O3 In1 O1 S3 -108.7(15) 4_774 . . . ?
O3 In1 O1 S3 170.2(5) 5_564 . . . ?
O1 In1 O1 S3 -8.6(5) 2_765 . . . ?
O1 In1 O1 S3 -100.4(3) 3_675 . . . ?
Rb2 In1 O1 S3 -166.7(6) 14_654 . . . ?
Rb2 In1 O1 S3 -83.9(5) 13_554 . . . ?
Rb2 In1 O1 S3 26.5(4) 15_664 . . . ?
O3 In1 O1 Rb2 -121.8(2) 6_654 . . 14_654 ?
O3 In1 O1 Rb2 58.0(16) 4_774 . . 14_654 ?
O3 In1 O1 Rb2 -23.1(2) 5_564 . . 14_654 ?
O1 In1 O1 Rb2 158.08(16) 2_765 . . 14_654 ?
O1 In1 O1 Rb2 66.3(3) 3_675 . . 14_654 ?
Rb2 In1 O1 Rb2 82.74(18) 13_554 . . 14_654 ?
Rb2 In1 O1 Rb2 -166.9(2) 15_664 . . 14_654 ?
O4 S3 O2 Rb2 27.6(17) . . . 11_454 ?
O3 S3 O2 Rb2 -95.4(16) . . . 11_454 ?
O1 S3 O2 Rb2 149.4(15) . . . 11_454 ?
Rb2 S3 O2 Rb2 176.9(17) 14_654 . . 11_454 ?
Rb2 S3 O2 Rb2 -10.7(16) . . . 11_454 ?
Rb2 S3 O2 Rb2 75.8(15) 6_654 . . 11_454 ?
O4 S3 O2 Rb2 -149.3(3) . . . 14_654 ?
O3 S3 O2 Rb2 87.7(4) . . . 14_654 ?
O1 S3 O2 Rb2 -27.5(3) . . . 14_654 ?
Rb2 S3 O2 Rb2 172.44(15) . . . 14_654 ?
Rb2 S3 O2 Rb2 -101.1(2) 6_654 . . 14_654 ?
O4 S3 O2 Rb2 -48.2(4) . . . 6_654 ?
O3 S3 O2 Rb2 -171.2(3) . . . 6_654 ?
O1 S3 O2 Rb2 73.6(2) . . . 6_654 ?
Rb2 S3 O2 Rb2 101.1(2) 14_654 . . 6_654 ?
Rb2 S3 O2 Rb2 -86.48(12) . . . 6_654 ?
O4 S3 O2 Rb2 113.2(3) . . . 16_664 ?
O3 S3 O2 Rb2 -9.7(4) . . . 16_664 ?
O1 S3 O2 Rb2 -125.0(3) . . . 16_664 ?
Rb2 S3 O2 Rb2 -97.47(19) 14_654 . . 16_664 ?
Rb2 S3 O2 Rb2 74.97(14) . . . 16_664 ?
Rb2 S3 O2 Rb2 161.4(3) 6_654 . . 16_664 ?
O4 S3 O3 In1 64.5(8) . . . 4_775 ?
O2 S3 O3 In1 -172.5(6) . . . 4_775 ?
O1 S3 O3 In1 -57.4(8) . . . 4_775 ?
Rb2 S3 O3 In1 -109.2(7) 14_654 . . 4_775 ?
Rb2 S3 O3 In1 101.5(7) . . . 4_775 ?
Rb2 S3 O3 In1 151.2(6) 6_654 . . 4_775 ?
O4 S3 O3 Rb2 -111.6(3) . . . 16_664 ?
O2 S3 O3 Rb2 11.4(5) . . . 16_664 ?
O1 S3 O3 Rb2 126.4(3) . . . 16_664 ?
Rb2 S3 O3 Rb2 74.6(3) 14_654 . . 16_664 ?
Rb2 S3 O3 Rb2 -74.6(3) . . . 16_664 ?
Rb2 S3 O3 Rb2 -24.9(14) 6_654 . . 16_664 ?
O2 S3 O4 Rb2 150.1(8) . . . 15_664 ?
O3 S3 O4 Rb2 -90.4(9) . . . 15_664 ?
O1 S3 O4 Rb2 29.9(10) . . . 15_664 ?
Rb2 S3 O4 Rb2 76.3(12) 14_654 . . 15_664 ?
Rb2 S3 O4 Rb2 -148.7(12) . . . 15_664 ?
Rb2 S3 O4 Rb2 104.0(9) 6_654 . . 15_664 ?
O2 S3 O4 Rb2 -61.2(5) . . . . ?
O3 S3 O4 Rb2 58.3(5) . . . . ?
O1 S3 O4 Rb2 178.6(3) . . . . ?
Rb2 S3 O4 Rb2 -135.0(3) 14_654 . . . ?
Rb2 S3 O4 Rb2 -107.3(4) 6_654 . . . ?
O2 S3 O4 Rb2 46.1(3) . . . 6_654 ?
O3 S3 O4 Rb2 165.5(3) . . . 6_654 ?
O1 S3 O4 Rb2 -74.1(3) . . . 6_654 ?
Rb2 S3 O4 Rb2 -27.7(5) 14_654 . . 6_654 ?
Rb2 S3 O4 Rb2 107.3(4) . . . 6_654 ?
S3 O4 Rb2 O4 161.3(3) . . . 8_655 ?
Rb2 O4 Rb2 O4 -35.2(5) 15_664 . . 8_655 ?
Rb2 O4 Rb2 O4 64.1(4) 6_654 . . 8_655 ?
S3 O4 Rb2 O2 -150.2(5) . . . 17_554 ?
Rb2 O4 Rb2 O2 13.4(2) 15_664 . . 17_554 ?
Rb2 O4 Rb2 O2 112.69(17) 6_654 . . 17_554 ?
S3 O4 Rb2 O1 68.6(5) . . . 9_565 ?
Rb2 O4 Rb2 O1 -127.85(17) 15_664 . . 9_565 ?
Rb2 O4 Rb2 O1 -28.53(15) 6_654 . . 9_565 ?
S3 O4 Rb2 O2 22.8(5) . . . 9_565 ?
Rb2 O4 Rb2 O2 -173.62(18) 15_664 . . 9_565 ?
Rb2 O4 Rb2 O2 -74.30(15) 6_654 . . 9_565 ?
S3 O4 Rb2 O3 117.2(5) . . . 10_664 ?
Rb2 O4 Rb2 O3 -79.2(2) 15_664 . . 10_664 ?
Rb2 O4 Rb2 O3 20.08(16) 6_654 . . 10_664 ?
S3 O4 Rb2 O2 -74.4(5) . . . 6_655 ?
Rb2 O4 Rb2 O2 89.2(2) 15_664 . . 6_655 ?
Rb2 O4 Rb2 O2 -171.50(13) 6_654 . . 6_655 ?
S3 O4 Rb2 O4 -35.1(5) . . . 6_655 ?
Rb2 O4 Rb2 O4 128.41(19) 15_664 . . 6_655 ?
Rb2 O4 Rb2 O4 -132.27(16) 6_654 . . 6_655 ?
S3 O4 Rb2 O2 143.2(6) . . . 10_664 ?
Rb2 O4 Rb2 O2 -53.28(14) 15_664 . . 10_664 ?
Rb2 O4 Rb2 O2 46.04(13) 6_654 . . 10_664 ?
S3 O4 Rb2 S3 42.3(5) . . . 9_565 ?
Rb2 O4 Rb2 S3 -154.13(12) 15_664 . . 9_565 ?
Rb2 O4 Rb2 S3 -54.81(14) 6_654 . . 9_565 ?
Rb2 O4 Rb2 S3 163.5(7) 15_664 . . . ?
Rb2 O4 Rb2 S3 -97.1(5) 6_654 . . . ?
S3 O4 Rb2 S3 -57.7(5) . . . 6_655 ?
Rb2 O4 Rb2 S3 105.86(19) 15_664 . . 6_655 ?
Rb2 O4 Rb2 S3 -154.82(10) 6_654 . . 6_655 ?
O4 S3 Rb2 O4 -59.4(14) . . . 8_655 ?
O2 S3 Rb2 O4 66.3(9) . . . 8_655 ?
O3 S3 Rb2 O4 172.8(9) . . . 8_655 ?
O1 S3 Rb2 O4 -62.4(10) . . . 8_655 ?
Rb2 S3 Rb2 O4 79.6(9) 14_654 . . 8_655 ?
Rb2 S3 Rb2 O4 3.0(9) 6_654 . . 8_655 ?
O2 S3 Rb2 O4 125.7(6) . . . . ?
O3 S3 Rb2 O4 -127.8(6) . . . . ?
O1 S3 Rb2 O4 -3.0(7) . . . . ?
Rb2 S3 Rb2 O4 139.0(5) 14_654 . . . ?
Rb2 S3 Rb2 O4 62.4(5) 6_654 . . . ?
O4 S3 Rb2 O2 32.4(5) . . . 17_554 ?
O2 S3 Rb2 O2 158.1(4) . . . 17_554 ?
O3 S3 Rb2 O2 -95.4(3) . . . 17_554 ?
O1 S3 Rb2 O2 29.3(5) . . . 17_554 ?
Rb2 S3 Rb2 O2 171.37(16) 14_654 . . 17_554 ?
Rb2 S3 Rb2 O2 94.75(15) 6_654 . . 17_554 ?
O4 S3 Rb2 O1 -118.8(5) . . . 9_565 ?
O2 S3 Rb2 O1 6.9(3) . . . 9_565 ?
O3 S3 Rb2 O1 113.4(2) . . . 9_565 ?
O1 S3 Rb2 O1 -121.8(5) . . . 9_565 ?
Rb2 S3 Rb2 O1 20.20(11) 14_654 . . 9_565 ?
Rb2 S3 Rb2 O1 -56.42(8) 6_654 . . 9_565 ?
O4 S3 Rb2 O2 -157.5(5) . . . 9_565 ?
O2 S3 Rb2 O2 -31.84(18) . . . 9_565 ?
O3 S3 Rb2 O2 74.6(2) . . . 9_565 ?
O1 S3 Rb2 O2 -160.6(5) . . . 9_565 ?
Rb2 S3 Rb2 O2 -18.56(12) 14_654 . . 9_565 ?
Rb2 S3 Rb2 O2 -95.18(10) 6_654 . . 9_565 ?
O4 S3 Rb2 O3 -64.6(5) . . . 10_664 ?
O2 S3 Rb2 O3 61.1(3) . . . 10_664 ?
O3 S3 Rb2 O3 167.5(2) . . . 10_664 ?
O1 S3 Rb2 O3 -67.7(5) . . . 10_664 ?
Rb2 S3 Rb2 O3 74.33(12) 14_654 . . 10_664 ?
Rb2 S3 Rb2 O3 -2.29(10) 6_654 . . 10_664 ?
O4 S3 Rb2 O2 111.6(5) . . . 6_655 ?
O2 S3 Rb2 O2 -122.7(3) . . . 6_655 ?
O3 S3 Rb2 O2 -16.2(3) . . . 6_655 ?
O1 S3 Rb2 O2 108.6(5) . . . 6_655 ?
Rb2 S3 Rb2 O2 -109.39(13) 14_654 . . 6_655 ?
Rb2 S3 Rb2 O2 173.99(11) 6_654 . . 6_655 ?
O4 S3 Rb2 O4 144.1(5) . . . 6_655 ?
O2 S3 Rb2 O4 -90.2(3) . . . 6_655 ?
O3 S3 Rb2 O4 16.3(2) . . . 6_655 ?
O1 S3 Rb2 O4 141.1(4) . . . 6_655 ?
Rb2 S3 Rb2 O4 -76.92(9) 14_654 . . 6_655 ?
Rb2 S3 Rb2 O4 -153.54(7) 6_654 . . 6_655 ?
O4 S3 Rb2 O2 -32.1(5) . . . 10_664 ?
O2 S3 Rb2 O2 93.6(3) . . . 10_664 ?
O3 S3 Rb2 O2 -159.9(2) . . . 10_664 ?
O1 S3 Rb2 O2 -35.1(4) . . . 10_664 ?
Rb2 S3 Rb2 O2 106.90(10) 14_654 . . 10_664 ?
Rb2 S3 Rb2 O2 30.29(7) 6_654 . . 10_664 ?
O4 S3 Rb2 S3 -142.4(5) . . . 9_565 ?
O2 S3 Rb2 S3 -16.7(3) . . . 9_565 ?
O3 S3 Rb2 S3 89.7(2) . . . 9_565 ?
O1 S3 Rb2 S3 -145.5(4) . . . 9_565 ?
Rb2 S3 Rb2 S3 -3.45(8) 14_654 . . 9_565 ?
Rb2 S3 Rb2 S3 -80.06(3) 6_654 . . 9_565 ?
O4 S3 Rb2 S3 121.9(5) . . . 6_655 ?
O2 S3 Rb2 S3 -112.4(3) . . . 6_655 ?
O3 S3 Rb2 S3 -5.9(2) . . . 6_655 ?
O1 S3 Rb2 S3 118.9(4) . . . 6_655 ?
Rb2 S3 Rb2 S3 -99.12(7) 14_654 . . 6_655 ?
Rb2 S3 Rb2 S3 -175.74(3) 6_654 . . 6_655 ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        27.09
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.188
_exptl_crystal_preparation       'second harmonic generation'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2055700'
loop_
_audit_author_name
_audit_author_address
'Qinke Xu'
;Tongji University
China
;
_audit_update_record             
;
2021-01-13 deposited with the CCDC.	2021-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         Rb2InF3SO4
_chemical_formula_sum            'F6 In2 O8 Rb4 S2'
_chemical_formula_weight         877.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
F F 0.0171 0.0103 '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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbcn

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   11.5155(6)
_cell_length_b                   8.8301(6)
_cell_length_c                   7.5204(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     764.70(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    2520
_cell_measurement_theta_min      2.9071
_cell_measurement_theta_max      27.0788

_exptl_crystal_description       rod-like
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.812
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             792
_exptl_absorpt_coefficient_mu    16.031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2923
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  bruker-CCD
_diffrn_measurement_method       'w scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4268
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         27.08
_reflns_number_total             846
_reflns_number_gt                773
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0267P)²+0.4917P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   none
_refine_ls_hydrogen_treatment    none
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0256(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         846
_refine_ls_number_parameters     54
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0237
_refine_ls_R_factor_gt           0.0205
_refine_ls_wR_factor_ref         0.0503
_refine_ls_wR_factor_gt          0.0488
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
In3 In 0.0000 0.5000 0.5000 0.01279(14) Uani 1 2 d S . .
S1 S 0.0000 0.19114(14) 0.2500 0.0175(3) Uani 1 2 d S . .
F2 F 0.16980(16) 0.5532(3) 0.5216(3) 0.0247(5) Uani 1 1 d . . .
F6 F 0.0000 0.6103(3) 0.2500 0.0219(6) Uani 1 2 d S . .
O5 O -0.0906(2) 0.1022(3) 0.3318(3) 0.0383(7) Uani 1 1 d . . .
O12 O 0.05598(19) 0.2917(3) 0.3858(3) 0.0230(5) Uani 1 1 d . . .
Rb1 Rb 0.30680(3) 0.33443(4) 0.30732(5) 0.02653(15) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
In3 F2 2.0175(19) . ?
In3 F2 2.0175(19) 5_566 ?
In3 F6 2.1174(14) . ?
In3 F6 2.1174(14) 5_566 ?
In3 O12 2.130(2) 5_566 ?
In3 O12 2.130(2) . ?
In3 Rb1 3.9712(4) 7_665 ?
In3 Rb1 3.9712(4) 3_456 ?
In3 Rb1 4.0888(4) 5_566 ?
In3 Rb1 4.0888(4) . ?
In3 Rb1 4.3603(4) 6_566 ?
In3 Rb1 4.3603(4) 2 ?
S1 O5 1.444(3) . ?
S1 O5 1.444(3) 4 ?
S1 O12 1.499(2) . ?
S1 O12 1.499(2) 4 ?
S1 Rb1 3.7773(5) . ?
S1 Rb1 3.7773(5) 4 ?
S1 Rb1 3.8803(11) 6_556 ?
S1 Rb1 3.8803(11) 7_655 ?
F2 Rb1 2.844(2) 8_566 ?
F2 Rb1 2.969(2) . ?
F2 Rb1 2.973(2) 7_665 ?
F6 In3 2.1174(14) 4 ?
F6 Rb1 3.009(2) 7_665 ?
F6 Rb1 3.009(2) 6_566 ?
O5 Rb1 2.843(3) 6_556 ?
O5 Rb1 3.012(3) 3_456 ?
O5 Rb1 3.391(3) 4 ?
O12 Rb1 2.972(2) . ?
Rb1 O5 2.843(3) 6_666 ?
Rb1 F2 2.844(2) 8_565 ?
Rb1 F2 2.973(2) 7_655 ?
Rb1 F6 3.009(2) 6_656 ?
Rb1 O5 3.012(3) 3_556 ?
Rb1 O5 3.391(3) 4 ?
Rb1 S1 3.8803(11) 6_666 ?
Rb1 In3 3.9712(4) 3_556 ?

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
F2 In3 F2 180.0 . 5_566 ?
F2 In3 F6 87.96(6) . . ?
F2 In3 F6 92.04(6) 5_566 . ?
F2 In3 F6 92.04(6) . 5_566 ?
F2 In3 F6 87.96(6) 5_566 5_566 ?
F6 In3 F6 180.00(15) . 5_566 ?
F2 In3 O12 93.43(9) . 5_566 ?
F2 In3 O12 86.57(9) 5_566 5_566 ?
F6 In3 O12 87.77(10) . 5_566 ?
F6 In3 O12 92.23(10) 5_566 5_566 ?
F2 In3 O12 86.57(9) . . ?
F2 In3 O12 93.43(9) 5_566 . ?
F6 In3 O12 92.23(10) . . ?
F6 In3 O12 87.77(10) 5_566 . ?
O12 In3 O12 180.0 5_566 . ?
F2 In3 Rb1 46.63(7) . 7_665 ?
F2 In3 Rb1 133.37(7) 5_566 7_665 ?
F6 In3 Rb1 48.24(5) . 7_665 ?
F6 In3 Rb1 131.76(5) 5_566 7_665 ?
O12 In3 Rb1 71.01(7) 5_566 7_665 ?
O12 In3 Rb1 108.99(7) . 7_665 ?
F2 In3 Rb1 133.37(7) . 3_456 ?
F2 In3 Rb1 46.63(7) 5_566 3_456 ?
F6 In3 Rb1 131.76(5) . 3_456 ?
F6 In3 Rb1 48.24(5) 5_566 3_456 ?
O12 In3 Rb1 108.99(7) 5_566 3_456 ?
O12 In3 Rb1 71.01(7) . 3_456 ?
Rb1 In3 Rb1 180.0 7_665 3_456 ?
F2 In3 Rb1 136.52(6) . 5_566 ?
F2 In3 Rb1 43.48(6) 5_566 5_566 ?
F6 In3 Rb1 98.64(4) . 5_566 ?
F6 In3 Rb1 81.36(4) 5_566 5_566 ?
O12 In3 Rb1 44.50(6) 5_566 5_566 ?
O12 In3 Rb1 135.50(6) . 5_566 ?
Rb1 In3 Rb1 110.335(5) 7_665 5_566 ?
Rb1 In3 Rb1 69.665(5) 3_456 5_566 ?
F2 In3 Rb1 43.48(6) . . ?
F2 In3 Rb1 136.52(6) 5_566 . ?
F6 In3 Rb1 81.36(4) . . ?
F6 In3 Rb1 98.64(4) 5_566 . ?
O12 In3 Rb1 135.50(6) 5_566 . ?
O12 In3 Rb1 44.50(6) . . ?
Rb1 In3 Rb1 69.665(5) 7_665 . ?
Rb1 In3 Rb1 110.335(5) 3_456 . ?
Rb1 In3 Rb1 180.0 5_566 . ?
F2 In3 Rb1 112.31(7) . 6_566 ?
F2 In3 Rb1 67.69(7) 5_566 6_566 ?
F6 In3 Rb1 38.54(4) . 6_566 ?
F6 In3 Rb1 141.46(4) 5_566 6_566 ?
O12 In3 Rb1 58.30(6) 5_566 6_566 ?
O12 In3 Rb1 121.70(7) . 6_566 ?
Rb1 In3 Rb1 65.721(9) 7_665 6_566 ?
Rb1 In3 Rb1 114.279(9) 3_456 6_566 ?
Rb1 In3 Rb1 60.318(5) 5_566 6_566 ?
Rb1 In3 Rb1 119.682(5) . 6_566 ?
F2 In3 Rb1 67.69(7) . 2 ?
F2 In3 Rb1 112.31(7) 5_566 2 ?
F6 In3 Rb1 141.46(4) . 2 ?
F6 In3 Rb1 38.54(4) 5_566 2 ?
O12 In3 Rb1 121.70(7) 5_566 2 ?
O12 In3 Rb1 58.30(7) . 2 ?
Rb1 In3 Rb1 114.279(9) 7_665 2 ?
Rb1 In3 Rb1 65.721(9) 3_456 2 ?
Rb1 In3 Rb1 119.682(5) 5_566 2 ?
Rb1 In3 Rb1 60.318(5) . 2 ?
Rb1 In3 Rb1 180.0 6_566 2 ?
O5 S1 O5 114.1(3) . 4 ?
O5 S1 O12 110.05(14) . . ?
O5 S1 O12 107.58(15) 4 . ?
O5 S1 O12 107.58(15) . 4 ?
O5 S1 O12 110.05(14) 4 4 ?
O12 S1 O12 107.3(2) . 4 ?
O5 S1 Rb1 144.05(11) . . ?
O5 S1 Rb1 63.58(13) 4 . ?
O12 S1 Rb1 47.28(9) . . ?
O12 S1 Rb1 106.35(9) 4 . ?
O5 S1 Rb1 63.58(13) . 4 ?
O5 S1 Rb1 144.05(11) 4 4 ?
O12 S1 Rb1 106.35(9) . 4 ?
O12 S1 Rb1 47.28(9) 4 4 ?
Rb1 S1 Rb1 140.86(4) . 4 ?
O5 S1 Rb1 36.03(12) . 6_556 ?
O5 S1 Rb1 85.71(14) 4 6_556 ?
O12 S1 Rb1 143.44(10) . 6_556 ?
O12 S1 Rb1 99.13(9) 4 6_556 ?
Rb1 S1 Rb1 145.17(3) . 6_556 ?
Rb1 S1 Rb1 73.916(8) 4 6_556 ?
O5 S1 Rb1 85.71(14) . 7_655 ?
O5 S1 Rb1 36.03(12) 4 7_655 ?
O12 S1 Rb1 99.13(9) . 7_655 ?
O12 S1 Rb1 143.44(10) 4 7_655 ?
Rb1 S1 Rb1 73.916(8) . 7_655 ?
Rb1 S1 Rb1 145.17(3) 4 7_655 ?
Rb1 S1 Rb1 71.47(2) 6_556 7_655 ?
In3 F2 Rb1 132.81(9) . 8_566 ?
In3 F2 Rb1 108.65(9) . . ?
Rb1 F2 Rb1 110.02(6) 8_566 . ?
In3 F2 Rb1 103.81(8) . 7_665 ?
Rb1 F2 Rb1 93.89(6) 8_566 7_665 ?
Rb1 F2 Rb1 101.60(6) . 7_665 ?
In3 F6 In3 125.23(15) 4 . ?
In3 F6 Rb1 115.45(3) 4 7_665 ?
In3 F6 Rb1 100.10(3) . 7_665 ?
In3 F6 Rb1 100.10(3) 4 6_566 ?
In3 F6 Rb1 115.45(3) . 6_566 ?
Rb1 F6 Rb1 97.74(9) 7_665 6_566 ?
S1 O5 Rb1 126.59(16) . 6_556 ?
S1 O5 Rb1 124.50(15) . 3_456 ?
Rb1 O5 Rb1 108.85(8) 6_556 3_456 ?
S1 O5 Rb1 94.01(14) . 4 ?
Rb1 O5 Rb1 94.83(8) 6_556 4 ?
Rb1 O5 Rb1 82.97(8) 3_456 4 ?
S1 O12 In3 131.01(14) . . ?
S1 O12 Rb1 110.97(11) . . ?
In3 O12 Rb1 105.35(9) . . ?
O5 Rb1 F2 70.27(7) 6_666 8_565 ?
O5 Rb1 F2 83.09(8) 6_666 . ?
F2 Rb1 F2 83.59(4) 8_565 . ?
O5 Rb1 O12 125.63(8) 6_666 . ?
F2 Rb1 O12 69.83(6) 8_565 . ?
F2 Rb1 O12 57.21(6) . . ?
O5 Rb1 F2 148.94(7) 6_666 7_655 ?
F2 Rb1 F2 138.70(4) 8_565 7_655 ?
F2 Rb1 F2 107.30(6) . 7_655 ?
O12 Rb1 F2 82.79(6) . 7_655 ?
O5 Rb1 F6 100.77(8) 6_666 6_656 ?
F2 Rb1 F6 122.10(4) 8_565 6_656 ?
F2 Rb1 F6 153.96(4) . 6_656 ?
O12 Rb1 F6 131.58(6) . 6_656 ?
F2 Rb1 F6 57.39(5) 7_655 6_656 ?
O5 Rb1 O5 90.80(7) 6_666 3_556 ?
F2 Rb1 O5 146.44(7) 8_565 3_556 ?
F2 Rb1 O5 66.34(6) . 3_556 ?
O12 Rb1 O5 103.06(7) . 3_556 ?
F2 Rb1 O5 68.36(7) 7_655 3_556 ?
F6 Rb1 O5 87.78(5) 6_656 3_556 ?
O5 Rb1 O5 134.00(9) 6_666 4 ?
F2 Rb1 O5 64.58(7) 8_565 4 ?
F2 Rb1 O5 99.83(6) . 4 ?
O12 Rb1 O5 43.20(6) . 4 ?
F2 Rb1 O5 74.25(6) 7_655 4 ?
F6 Rb1 O5 95.79(6) 6_656 4 ?
O5 Rb1 O5 132.72(7) 3_556 4 ?
O5 Rb1 S1 128.71(6) 6_666 . ?
F2 Rb1 S1 60.79(4) 8_565 . ?
F2 Rb1 S1 77.46(4) . . ?
O12 Rb1 S1 21.75(5) . . ?
F2 Rb1 S1 82.35(4) 7_655 . ?
F6 Rb1 S1 117.06(5) 6_656 . ?
O5 Rb1 S1 122.14(6) 3_556 . ?
O5 Rb1 S1 22.41(4) 4 . ?
O5 Rb1 S1 17.38(5) 6_666 6_666 ?
F2 Rb1 S1 87.18(5) 8_565 6_666 ?
F2 Rb1 S1 80.61(4) . 6_666 ?
O12 Rb1 S1 133.02(5) . 6_666 ?
F2 Rb1 S1 133.34(4) 7_655 6_666 ?
F6 Rb1 S1 95.40(5) 6_656 6_666 ?
O5 Rb1 S1 74.00(6) 3_556 6_666 ?
O5 Rb1 S1 151.35(5) 4 6_666 ?
S1 Rb1 S1 142.70(3) . 6_666 ?
O5 Rb1 In3 121.32(6) 6_666 3_556 ?
F2 Rb1 In3 147.76(5) 8_565 3_556 ?
F2 Rb1 In3 125.69(4) . 3_556 ?
O12 Rb1 In3 112.19(5) . 3_556 ?
F2 Rb1 In3 29.56(4) 7_655 3_556 ?
F6 Rb1 In3 31.66(2) 6_656 3_556 ?
O5 Rb1 In3 65.77(5) 3_556 3_556 ?
O5 Rb1 In3 94.26(5) 4 3_556 ?
S1 Rb1 In3 108.454(19) . 3_556 ?
S1 Rb1 In3 108.841(13) 6_666 3_556 ?
O5 Rb1 In3 101.09(6) 6_666 . ?
F2 Rb1 In3 70.35(4) 8_565 . ?
F2 Rb1 In3 27.87(4) . . ?
O12 Rb1 In3 30.15(5) . . ?
F2 Rb1 In3 100.66(4) 7_655 . ?
F6 Rb1 In3 157.65(4) 6_656 . ?
O5 Rb1 In3 87.32(5) 3_556 . ?
O5 Rb1 In3 72.01(4) 4 . ?
S1 Rb1 In3 49.615(15) . . ?
S1 Rb1 In3 104.155(14) 6_666 . ?
In3 Rb1 In3 128.363(9) 3_556 . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F2 In3 F2 Rb1 -92(74) 5_566 . . 8_566 ?
F6 In3 F2 Rb1 136.80(15) . . . 8_566 ?
F6 In3 F2 Rb1 -43.20(15) 5_566 . . 8_566 ?
O12 In3 F2 Rb1 49.17(15) 5_566 . . 8_566 ?
O12 In3 F2 Rb1 -130.83(15) . . . 8_566 ?
Rb1 In3 F2 Rb1 108.83(16) 7_665 . . 8_566 ?
Rb1 In3 F2 Rb1 -71.17(16) 3_456 . . 8_566 ?
Rb1 In3 F2 Rb1 36.38(19) 5_566 . . 8_566 ?
Rb1 In3 F2 Rb1 -143.62(19) . . . 8_566 ?
Rb1 In3 F2 Rb1 106.18(12) 6_566 . . 8_566 ?
Rb1 In3 F2 Rb1 -73.82(12) 2 . . 8_566 ?
F2 In3 F2 Rb1 51(74) 5_566 . . . ?
F6 In3 F2 Rb1 -79.58(9) . . . . ?
F6 In3 F2 Rb1 100.42(9) 5_566 . . . ?
O12 In3 F2 Rb1 -167.21(9) 5_566 . . . ?
O12 In3 F2 Rb1 12.79(9) . . . . ?
Rb1 In3 F2 Rb1 -107.55(9) 7_665 . . . ?
Rb1 In3 F2 Rb1 72.45(9) 3_456 . . . ?
Rb1 In3 F2 Rb1 180.0 5_566 . . . ?
Rb1 In3 F2 Rb1 -110.20(7) 6_566 . . . ?
Rb1 In3 F2 Rb1 69.80(7) 2 . . . ?
F2 In3 F2 Rb1 159(74) 5_566 . . 7_665 ?
F6 In3 F2 Rb1 27.97(9) . . . 7_665 ?
F6 In3 F2 Rb1 -152.03(9) 5_566 . . 7_665 ?
O12 In3 F2 Rb1 -59.67(9) 5_566 . . 7_665 ?
O12 In3 F2 Rb1 120.33(9) . . . 7_665 ?
Rb1 In3 F2 Rb1 180.0 3_456 . . 7_665 ?
Rb1 In3 F2 Rb1 -72.45(9) 5_566 . . 7_665 ?
Rb1 In3 F2 Rb1 107.55(9) . . . 7_665 ?
Rb1 In3 F2 Rb1 -2.65(8) 6_566 . . 7_665 ?
Rb1 In3 F2 Rb1 177.35(8) 2 . . 7_665 ?
F2 In3 F6 In3 104.12(6) . . . 4 ?
F2 In3 F6 In3 -75.88(6) 5_566 . . 4 ?
F6 In3 F6 In3 0(100) 5_566 . . 4 ?
O12 In3 F6 In3 -162.37(6) 5_566 . . 4 ?
O12 In3 F6 In3 17.63(6) . . . 4 ?
Rb1 In3 F6 In3 131.32(5) 7_665 . . 4 ?
Rb1 In3 F6 In3 -48.68(5) 3_456 . . 4 ?
Rb1 In3 F6 In3 -119.078(11) 5_566 . . 4 ?
Rb1 In3 F6 In3 60.922(11) . . . 4 ?
Rb1 In3 F6 In3 -125.02(8) 6_566 . . 4 ?
Rb1 In3 F6 In3 54.98(8) 2 . . 4 ?
F2 In3 F6 Rb1 -27.20(8) . . . 7_665 ?
F2 In3 F6 Rb1 152.80(8) 5_566 . . 7_665 ?
F6 In3 F6 Rb1 -131.3(2) 5_566 . . 7_665 ?
O12 In3 F6 Rb1 66.32(8) 5_566 . . 7_665 ?
O12 In3 F6 Rb1 -113.68(8) . . . 7_665 ?
Rb1 In3 F6 Rb1 180.0 3_456 . . 7_665 ?
Rb1 In3 F6 Rb1 109.61(4) 5_566 . . 7_665 ?
Rb1 In3 F6 Rb1 -70.39(4) . . . 7_665 ?
Rb1 In3 F6 Rb1 103.66(12) 6_566 . . 7_665 ?
Rb1 In3 F6 Rb1 -76.34(12) 2 . . 7_665 ?
F2 In3 F6 Rb1 -130.86(10) . . . 6_566 ?
F2 In3 F6 Rb1 49.14(10) 5_566 . . 6_566 ?
F6 In3 F6 Rb1 125.0(3) 5_566 . . 6_566 ?
O12 In3 F6 Rb1 -37.34(9) 5_566 . . 6_566 ?
O12 In3 F6 Rb1 142.66(9) . . . 6_566 ?
Rb1 In3 F6 Rb1 -103.66(12) 7_665 . . 6_566 ?
Rb1 In3 F6 Rb1 76.34(12) 3_456 . . 6_566 ?
Rb1 In3 F6 Rb1 5.94(8) 5_566 . . 6_566 ?
Rb1 In3 F6 Rb1 -174.06(8) . . . 6_566 ?
Rb1 In3 F6 Rb1 180.0 2 . . 6_566 ?
O5 S1 O5 Rb1 -41.14(13) 4 . . 6_556 ?
O12 S1 O5 Rb1 -162.15(16) . . . 6_556 ?
O12 S1 O5 Rb1 81.2(2) 4 . . 6_556 ?
Rb1 S1 O5 Rb1 -118.77(16) . . . 6_556 ?
Rb1 S1 O5 Rb1 99.04(18) 4 . . 6_556 ?
Rb1 S1 O5 Rb1 -63.98(17) 7_655 . . 6_556 ?
O5 S1 O5 Rb1 135.6(2) 4 . . 3_456 ?
O12 S1 O5 Rb1 14.6(2) . . . 3_456 ?
O12 S1 O5 Rb1 -102.03(18) 4 . . 3_456 ?
Rb1 S1 O5 Rb1 58.0(3) . . . 3_456 ?
Rb1 S1 O5 Rb1 -84.22(17) 4 . . 3_456 ?
Rb1 S1 O5 Rb1 176.7(3) 6_556 . . 3_456 ?
Rb1 S1 O5 Rb1 112.77(16) 7_655 . . 3_456 ?
O5 S1 O5 Rb1 -140.18(11) 4 . . 4 ?
O12 S1 O5 Rb1 98.82(12) . . . 4 ?
O12 S1 O5 Rb1 -17.81(15) 4 . . 4 ?
Rb1 S1 O5 Rb1 142.20(16) . . . 4 ?
Rb1 S1 O5 Rb1 -99.04(18) 6_556 . . 4 ?
Rb1 S1 O5 Rb1 -163.02(6) 7_655 . . 4 ?
O5 S1 O12 In3 -78.1(2) . . . . ?
O5 S1 O12 In3 157.06(19) 4 . . . ?
O12 S1 O12 In3 38.66(13) 4 . . . ?
Rb1 S1 O12 In3 135.2(2) . . . . ?
Rb1 S1 O12 In3 -10.9(2) 4 . . . ?
Rb1 S1 O12 In3 -95.8(2) 6_556 . . . ?
Rb1 S1 O12 In3 -166.87(16) 7_655 . . . ?
O5 S1 O12 Rb1 146.71(15) . . . . ?
O5 S1 O12 Rb1 21.90(18) 4 . . . ?
O12 S1 O12 Rb1 -96.51(12) 4 . . . ?
Rb1 S1 O12 Rb1 -146.03(7) 4 . . . ?
Rb1 S1 O12 Rb1 129.08(10) 6_556 . . . ?
Rb1 S1 O12 Rb1 57.97(10) 7_655 . . . ?
F2 In3 O12 S1 -149.5(2) . . . . ?
F2 In3 O12 S1 30.5(2) 5_566 . . . ?
F6 In3 O12 S1 -61.67(19) . . . . ?
F6 In3 O12 S1 118.33(19) 5_566 . . . ?
O12 In3 O12 S1 83(8) 5_566 . . . ?
Rb1 In3 O12 S1 -107.92(18) 7_665 . . . ?
Rb1 In3 O12 S1 72.08(18) 3_456 . . . ?
Rb1 In3 O12 S1 43.1(2) 5_566 . . . ?
Rb1 In3 O12 S1 -136.9(2) . . . . ?
Rb1 In3 O12 S1 -35.3(2) 6_566 . . . ?
Rb1 In3 O12 S1 144.7(2) 2 . . . ?
F2 In3 O12 Rb1 -12.55(9) . . . . ?
F2 In3 O12 Rb1 167.45(9) 5_566 . . . ?
F6 In3 O12 Rb1 75.27(7) . . . . ?
F6 In3 O12 Rb1 -104.73(7) 5_566 . . . ?
O12 In3 O12 Rb1 -140(8) 5_566 . . . ?
Rb1 In3 O12 Rb1 29.02(9) 7_665 . . . ?
Rb1 In3 O12 Rb1 -150.98(9) 3_456 . . . ?
Rb1 In3 O12 Rb1 180.0 5_566 . . . ?
Rb1 In3 O12 Rb1 101.65(7) 6_566 . . . ?
Rb1 In3 O12 Rb1 -78.35(7) 2 . . . ?
In3 F2 Rb1 O5 130.06(10) . . . 6_666 ?
Rb1 F2 Rb1 O5 -77.53(8) 8_566 . . 6_666 ?
Rb1 F2 Rb1 O5 21.01(7) 7_665 . . 6_666 ?
In3 F2 Rb1 F2 59.25(7) . . . 8_565 ?
Rb1 F2 Rb1 F2 -148.34(9) 8_566 . . 8_565 ?
Rb1 F2 Rb1 F2 -49.81(7) 7_665 . . 8_565 ?
In3 F2 Rb1 O12 -10.85(8) . . . . ?
Rb1 F2 Rb1 O12 141.56(10) 8_566 . . . ?
Rb1 F2 Rb1 O12 -119.91(8) 7_665 . . . ?
In3 F2 Rb1 F2 -79.94(9) . . . 7_655 ?
Rb1 F2 Rb1 F2 72.48(8) 8_566 . . 7_655 ?
Rb1 F2 Rb1 F2 171.01(6) 7_665 . . 7_655 ?
In3 F2 Rb1 F6 -129.52(12) . . . 6_656 ?
Rb1 F2 Rb1 F6 22.89(18) 8_566 . . 6_656 ?
Rb1 F2 Rb1 F6 121.42(13) 7_665 . . 6_656 ?
In3 F2 Rb1 O5 -136.01(12) . . . 3_556 ?
Rb1 F2 Rb1 O5 16.40(8) 8_566 . . 3_556 ?
Rb1 F2 Rb1 O5 114.94(9) 7_665 . . 3_556 ?
In3 F2 Rb1 O5 -3.50(10) . . . 4 ?
Rb1 F2 Rb1 O5 148.91(8) 8_566 . . 4 ?
Rb1 F2 Rb1 O5 -112.55(7) 7_665 . . 4 ?
In3 F2 Rb1 S1 -2.19(7) . . . . ?
Rb1 F2 Rb1 S1 150.23(7) 8_566 . . . ?
Rb1 F2 Rb1 S1 -111.24(5) 7_665 . . . ?
In3 F2 Rb1 S1 147.44(8) . . . 6_666 ?
Rb1 F2 Rb1 S1 -60.15(6) 8_566 . . 6_666 ?
Rb1 F2 Rb1 S1 38.39(4) 7_665 . . 6_666 ?
In3 F2 Rb1 In3 -106.05(7) . . . 3_556 ?
Rb1 F2 Rb1 In3 46.37(9) 8_566 . . 3_556 ?
Rb1 F2 Rb1 In3 144.90(3) 7_665 . . 3_556 ?
Rb1 F2 Rb1 In3 152.41(14) 8_566 . . . ?
Rb1 F2 Rb1 In3 -109.05(10) 7_665 . . . ?
S1 O12 Rb1 O5 106.25(14) . . . 6_666 ?
In3 O12 Rb1 O5 -40.27(13) . . . 6_666 ?
S1 O12 Rb1 F2 61.15(13) . . . 8_565 ?
In3 O12 Rb1 F2 -85.36(10) . . . 8_565 ?
S1 O12 Rb1 F2 156.61(16) . . . . ?
In3 O12 Rb1 F2 10.10(7) . . . . ?
S1 O12 Rb1 F2 -87.41(13) . . . 7_655 ?
In3 O12 Rb1 F2 126.08(9) . . . 7_655 ?
S1 O12 Rb1 F6 -54.38(16) . . . 6_656 ?
In3 O12 Rb1 F6 159.11(5) . . . 6_656 ?
S1 O12 Rb1 O5 -153.15(13) . . . 3_556 ?
In3 O12 Rb1 O5 60.34(11) . . . 3_556 ?
S1 O12 Rb1 O5 -12.77(11) . . . 4 ?
In3 O12 Rb1 O5 -159.29(15) . . . 4 ?
In3 O12 Rb1 S1 -146.5(2) . . . . ?
S1 O12 Rb1 S1 126.67(11) . . . 6_666 ?
In3 O12 Rb1 S1 -19.84(12) . . . 6_666 ?
S1 O12 Rb1 In3 -84.27(13) . . . 3_556 ?
In3 O12 Rb1 In3 129.22(7) . . . 3_556 ?
S1 O12 Rb1 In3 146.5(2) . . . . ?
O5 S1 Rb1 O5 -151.8(3) . . . 6_666 ?
O5 S1 Rb1 O5 113.05(17) 4 . . 6_666 ?
O12 S1 Rb1 O5 -90.34(15) . . . 6_666 ?
O12 S1 Rb1 O5 8.37(13) 4 . . 6_666 ?
Rb1 S1 Rb1 O5 -32.19(7) 4 . . 6_666 ?
Rb1 S1 Rb1 O5 143.71(7) 6_556 . . 6_666 ?
Rb1 S1 Rb1 O5 150.24(7) 7_655 . . 6_666 ?
O5 S1 Rb1 F2 -171.0(2) . . . 8_565 ?
O5 S1 Rb1 F2 93.78(13) 4 . . 8_565 ?
O12 S1 Rb1 F2 -109.61(15) . . . 8_565 ?
O12 S1 Rb1 F2 -10.90(12) 4 . . 8_565 ?
Rb1 S1 Rb1 F2 -51.46(5) 4 . . 8_565 ?
Rb1 S1 Rb1 F2 124.44(5) 6_556 . . 8_565 ?
Rb1 S1 Rb1 F2 130.97(5) 7_655 . . 8_565 ?
O5 S1 Rb1 F2 -81.4(2) . . . . ?
O5 S1 Rb1 F2 -176.61(13) 4 . . . ?
O12 S1 Rb1 F2 -19.99(14) . . . . ?
O12 S1 Rb1 F2 78.72(11) 4 . . . ?
Rb1 S1 Rb1 F2 38.16(4) 4 . . . ?
Rb1 S1 Rb1 F2 -145.94(4) 6_556 . . . ?
Rb1 S1 Rb1 F2 -139.41(4) 7_655 . . . ?
O5 S1 Rb1 O12 -61.4(3) . . . . ?
O5 S1 Rb1 O12 -156.61(19) 4 . . . ?
O12 S1 Rb1 O12 98.7(2) 4 . . . ?
Rb1 S1 Rb1 O12 58.15(13) 4 . . . ?
Rb1 S1 Rb1 O12 -125.95(14) 6_556 . . . ?
Rb1 S1 Rb1 O12 -119.42(13) 7_655 . . . ?
O5 S1 Rb1 F2 28.3(2) . . . 7_655 ?
O5 S1 Rb1 F2 -66.89(14) 4 . . 7_655 ?
O12 S1 Rb1 F2 89.72(14) . . . 7_655 ?
O12 S1 Rb1 F2 -171.57(11) 4 . . 7_655 ?
Rb1 S1 Rb1 F2 147.87(4) 4 . . 7_655 ?
Rb1 S1 Rb1 F2 -36.23(4) 6_556 . . 7_655 ?
Rb1 S1 Rb1 F2 -29.70(4) 7_655 . . 7_655 ?
O5 S1 Rb1 F6 75.5(2) . . . 6_656 ?
O5 S1 Rb1 F6 -19.68(13) 4 . . 6_656 ?
O12 S1 Rb1 F6 136.94(13) . . . 6_656 ?
O12 S1 Rb1 F6 -124.35(11) 4 . . 6_656 ?
Rb1 S1 Rb1 F6 -164.92(2) 4 . . 6_656 ?
Rb1 S1 Rb1 F6 10.99(2) 6_556 . . 6_656 ?
Rb1 S1 Rb1 F6 17.52(2) 7_655 . . 6_656 ?
O5 S1 Rb1 O5 -30.1(3) . . . 3_556 ?
O5 S1 Rb1 O5 -125.31(10) 4 . . 3_556 ?
O12 S1 Rb1 O5 31.30(15) . . . 3_556 ?
O12 S1 Rb1 O5 130.02(12) 4 . . 3_556 ?
Rb1 S1 Rb1 O5 89.45(6) 4 . . 3_556 ?
Rb1 S1 Rb1 O5 -94.65(6) 6_556 . . 3_556 ?
Rb1 S1 Rb1 O5 -88.11(6) 7_655 . . 3_556 ?
O5 S1 Rb1 O5 95.2(3) . . . 4 ?
O12 S1 Rb1 O5 156.61(19) . . . 4 ?
O12 S1 Rb1 O5 -104.67(16) 4 . . 4 ?
Rb1 S1 Rb1 O5 -145.24(13) 4 . . 4 ?
Rb1 S1 Rb1 O5 30.66(13) 6_556 . . 4 ?
Rb1 S1 Rb1 O5 37.20(13) 7_655 . . 4 ?
O5 S1 Rb1 S1 -136.8(2) . . . 6_666 ?
O5 S1 Rb1 S1 127.99(13) 4 . . 6_666 ?
O12 S1 Rb1 S1 -75.40(13) . . . 6_666 ?
O12 S1 Rb1 S1 23.31(11) 4 . . 6_666 ?
Rb1 S1 Rb1 S1 -17.25(2) 4 . . 6_666 ?
Rb1 S1 Rb1 S1 158.65(3) 6_556 . . 6_666 ?
Rb1 S1 Rb1 S1 165.184(19) 7_655 . . 6_666 ?
O5 S1 Rb1 In3 42.3(2) . . . 3_556 ?
O5 S1 Rb1 In3 -52.84(13) 4 . . 3_556 ?
O12 S1 Rb1 In3 103.77(14) . . . 3_556 ?
O12 S1 Rb1 In3 -157.51(10) 4 . . 3_556 ?
Rb1 S1 Rb1 In3 161.922(10) 4 . . 3_556 ?
Rb1 S1 Rb1 In3 -22.177(7) 6_556 . . 3_556 ?
Rb1 S1 Rb1 In3 -15.643(12) 7_655 . . 3_556 ?
O5 S1 Rb1 In3 -82.8(2) . . . . ?
O5 S1 Rb1 In3 -177.95(13) 4 . . . ?
O12 S1 Rb1 In3 -21.34(13) . . . . ?
O12 S1 Rb1 In3 77.38(11) 4 . . . ?
Rb1 S1 Rb1 In3 36.814(9) 4 . . . ?
Rb1 S1 Rb1 In3 -147.285(13) 6_556 . . . ?
Rb1 S1 Rb1 In3 -140.751(9) 7_655 . . . ?
F2 In3 Rb1 O5 -50.74(11) . . . 6_666 ?
F2 In3 Rb1 O5 129.26(11) 5_566 . . 6_666 ?
F6 In3 Rb1 O5 45.46(8) . . . 6_666 ?
F6 In3 Rb1 O5 -134.54(8) 5_566 . . 6_666 ?
O12 In3 Rb1 O5 -32.36(11) 5_566 . . 6_666 ?
O12 In3 Rb1 O5 147.64(11) . . . 6_666 ?
Rb1 In3 Rb1 O5 -3.07(5) 7_665 . . 6_666 ?
Rb1 In3 Rb1 O5 176.93(5) 3_456 . . 6_666 ?
Rb1 In3 Rb1 O5 -150(60) 5_566 . . 6_666 ?
Rb1 In3 Rb1 O5 41.20(5) 6_566 . . 6_666 ?
Rb1 In3 Rb1 O5 -138.80(5) 2 . . 6_666 ?
F2 In3 Rb1 F2 -114.93(6) . . . 8_565 ?
F2 In3 Rb1 F2 65.07(6) 5_566 . . 8_565 ?
F6 In3 Rb1 F2 -18.73(8) . . . 8_565 ?
F6 In3 Rb1 F2 161.27(8) 5_566 . . 8_565 ?
O12 In3 Rb1 F2 -96.56(11) 5_566 . . 8_565 ?
O12 In3 Rb1 F2 83.44(11) . . . 8_565 ?
Rb1 In3 Rb1 F2 -67.27(5) 7_665 . . 8_565 ?
Rb1 In3 Rb1 F2 112.73(5) 3_456 . . 8_565 ?
Rb1 In3 Rb1 F2 145(51) 5_566 . . 8_565 ?
Rb1 In3 Rb1 F2 -22.99(5) 6_566 . . 8_565 ?
Rb1 In3 Rb1 F2 157.01(5) 2 . . 8_565 ?
F2 In3 Rb1 F2 180.0 5_566 . . . ?
F6 In3 Rb1 F2 96.20(11) . . . . ?
F6 In3 Rb1 F2 -83.80(11) 5_566 . . . ?
O12 In3 Rb1 F2 18.37(13) 5_566 . . . ?
O12 In3 Rb1 F2 -161.63(13) . . . . ?
Rb1 In3 Rb1 F2 47.66(9) 7_665 . . . ?
Rb1 In3 Rb1 F2 -132.34(9) 3_456 . . . ?
Rb1 In3 Rb1 F2 -100(51) 5_566 . . . ?
Rb1 In3 Rb1 F2 91.94(9) 6_566 . . . ?
Rb1 In3 Rb1 F2 -88.06(9) 2 . . . ?
F2 In3 Rb1 O12 161.63(13) . . . . ?
F2 In3 Rb1 O12 -18.37(13) 5_566 . . . ?
F6 In3 Rb1 O12 -102.17(12) . . . . ?
F6 In3 Rb1 O12 77.83(12) 5_566 . . . ?
O12 In3 Rb1 O12 180.0 5_566 . . . ?
Rb1 In3 Rb1 O12 -150.71(9) 7_665 . . . ?
Rb1 In3 Rb1 O12 29.29(9) 3_456 . . . ?
Rb1 In3 Rb1 O12 62(58) 5_566 . . . ?
Rb1 In3 Rb1 O12 -106.43(9) 6_566 . . . ?
Rb1 In3 Rb1 O12 73.57(9) 2 . . . ?
F2 In3 Rb1 F2 106.95(10) . . . 7_655 ?
F2 In3 Rb1 F2 -73.05(10) 5_566 . . 7_655 ?
F6 In3 Rb1 F2 -156.85(8) . . . 7_655 ?
F6 In3 Rb1 F2 23.15(8) 5_566 . . 7_655 ?
O12 In3 Rb1 F2 125.32(10) 5_566 . . 7_655 ?
O12 In3 Rb1 F2 -54.68(10) . . . 7_655 ?
Rb1 In3 Rb1 F2 154.61(4) 7_665 . . 7_655 ?
Rb1 In3 Rb1 F2 -25.39(4) 3_456 . . 7_655 ?
Rb1 In3 Rb1 F2 7(51) 5_566 . . 7_655 ?
Rb1 In3 Rb1 F2 -161.11(4) 6_566 . . 7_655 ?
Rb1 In3 Rb1 F2 18.89(4) 2 . . 7_655 ?
F2 In3 Rb1 F6 117.08(11) . . . 6_656 ?
F2 In3 Rb1 F6 -62.92(11) 5_566 . . 6_656 ?
F6 In3 Rb1 F6 -146.72(12) . . . 6_656 ?
F6 In3 Rb1 F6 33.28(12) 5_566 . . 6_656 ?
O12 In3 Rb1 F6 135.46(11) 5_566 . . 6_656 ?
O12 In3 Rb1 F6 -44.54(11) . . . 6_656 ?
Rb1 In3 Rb1 F6 164.75(6) 7_665 . . 6_656 ?
Rb1 In3 Rb1 F6 -15.25(6) 3_456 . . 6_656 ?
Rb1 In3 Rb1 F6 17(42) 5_566 . . 6_656 ?
Rb1 In3 Rb1 F6 -150.98(6) 6_566 . . 6_656 ?
Rb1 In3 Rb1 F6 29.02(6) 2 . . 6_656 ?
F2 In3 Rb1 O5 39.56(11) . . . 3_556 ?
F2 In3 Rb1 O5 -140.44(11) 5_566 . . 3_556 ?
F6 In3 Rb1 O5 135.75(8) . . . 3_556 ?
F6 In3 Rb1 O5 -44.25(8) 5_566 . . 3_556 ?
O12 In3 Rb1 O5 57.93(11) 5_566 . . 3_556 ?
O12 In3 Rb1 O5 -122.07(11) . . . 3_556 ?
Rb1 In3 Rb1 O5 87.22(6) 7_665 . . 3_556 ?
Rb1 In3 Rb1 O5 -92.78(6) 3_456 . . 3_556 ?
Rb1 In3 Rb1 O5 -60(70) 5_566 . . 3_556 ?
Rb1 In3 Rb1 O5 131.49(6) 6_566 . . 3_556 ?
Rb1 In3 Rb1 O5 -48.51(6) 2 . . 3_556 ?
F2 In3 Rb1 O5 176.37(10) . . . 4 ?
F2 In3 Rb1 O5 -3.63(10) 5_566 . . 4 ?
F6 In3 Rb1 O5 -87.43(8) . . . 4 ?
F6 In3 Rb1 O5 92.57(8) 5_566 . . 4 ?
O12 In3 Rb1 O5 -165.25(11) 5_566 . . 4 ?
O12 In3 Rb1 O5 14.75(11) . . . 4 ?
Rb1 In3 Rb1 O5 -135.96(5) 7_665 . . 4 ?
Rb1 In3 Rb1 O5 44.04(5) 3_456 . . 4 ?
Rb1 In3 Rb1 O5 77(65) 5_566 . . 4 ?
Rb1 In3 Rb1 O5 -91.69(5) 6_566 . . 4 ?
Rb1 In3 Rb1 O5 88.31(5) 2 . . 4 ?
F2 In3 Rb1 S1 177.20(9) . . . . ?
F2 In3 Rb1 S1 -2.80(9) 5_566 . . . ?
F6 In3 Rb1 S1 -86.61(6) . . . . ?
F6 In3 Rb1 S1 93.39(6) 5_566 . . . ?
O12 In3 Rb1 S1 -164.43(10) 5_566 . . . ?
O12 In3 Rb1 S1 15.57(10) . . . . ?
Rb1 In3 Rb1 S1 -135.142(15) 7_665 . . . ?
Rb1 In3 Rb1 S1 44.858(15) 3_456 . . . ?
Rb1 In3 Rb1 S1 77(17) 5_566 . . . ?
Rb1 In3 Rb1 S1 -90.865(17) 6_566 . . . ?
Rb1 In3 Rb1 S1 89.135(17) 2 . . . ?
F2 In3 Rb1 S1 -33.20(9) . . . 6_666 ?
F2 In3 Rb1 S1 146.80(9) 5_566 . . 6_666 ?
F6 In3 Rb1 S1 63.00(6) . . . 6_666 ?
F6 In3 Rb1 S1 -117.00(6) 5_566 . . 6_666 ?
O12 In3 Rb1 S1 -14.83(10) 5_566 . . 6_666 ?
O12 In3 Rb1 S1 165.17(10) . . . 6_666 ?
Rb1 In3 Rb1 S1 14.460(10) 7_665 . . 6_666 ?
Rb1 In3 Rb1 S1 -165.540(10) 3_456 . . 6_666 ?
Rb1 In3 Rb1 S1 -133(17) 5_566 . . 6_666 ?
Rb1 In3 Rb1 S1 58.737(10) 6_566 . . 6_666 ?
Rb1 In3 Rb1 S1 -121.263(10) 2 . . 6_666 ?
F2 In3 Rb1 In3 95.43(9) . . . 3_556 ?
F2 In3 Rb1 In3 -84.57(9) 5_566 . . 3_556 ?
F6 In3 Rb1 In3 -168.37(6) . . . 3_556 ?
F6 In3 Rb1 In3 11.63(6) 5_566 . . 3_556 ?
O12 In3 Rb1 In3 113.81(9) 5_566 . . 3_556 ?
O12 In3 Rb1 In3 -66.19(9) . . . 3_556 ?
Rb1 In3 Rb1 In3 143.097(11) 7_665 . . 3_556 ?
Rb1 In3 Rb1 In3 -36.903(11) 3_456 . . 3_556 ?
Rb1 In3 Rb1 In3 -4.26(4) 5_566 . . 3_556 ?
Rb1 In3 Rb1 In3 -172.626(8) 6_566 . . 3_556 ?
Rb1 In3 Rb1 In3 7.374(8) 2 . . 3_556 ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        27.08
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.959
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.148
_exptl_crystal_recrystallization_method 'hydrothermal method'
_exptl_crystal_preparation       'second harmonic generation'
