# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_VF6_II_67_0m_b
_database_code_depnum_ccdc_archive 'CCDC 2046527'
loop_
_audit_author_name
_audit_author_address
'Shiwei Liu'
;TianJin University of Technology
China
;
_audit_update_record             
;
2020-11-26 deposited with the CCDC.	2021-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            BiK3O14P4Sr
_chemical_formula_weight         380.89

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

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

_cell_length_a                   8.6716(10)
_cell_length_b                   9.6228(13)
_cell_length_c                   8.8572(18)
_cell_angle_alpha                90
_cell_angle_beta                 106.478(9)
_cell_angle_gamma                90
_cell_volume                     708.73(19)
_cell_formula_units_Z            4
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    1668
_cell_measurement_theta_min      2.45
_cell_measurement_theta_max      26.89

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.570
_exptl_crystal_F_000             700
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    17.565
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      299(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10362
_diffrn_reflns_av_unetI/netI     0.1187
_diffrn_reflns_av_R_equivalents  0.1080
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.398
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             3231
_reflns_number_gt                2739
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.874
_reflns_Friedel_fraction_max     0.984
_reflns_Friedel_fraction_full    0.991

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0039P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_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 x determined using 1005 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.003(11)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3231
_refine_ls_number_parameters     208
_refine_ls_number_restraints     139
_refine_ls_R_factor_all          0.0695
_refine_ls_R_factor_gt           0.0535
_refine_ls_wR_factor_ref         0.1047
_refine_ls_wR_factor_gt          0.0950
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.006
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi -0.01261(8) 0.80640(9) 0.72386(9) 0.01259(19) Uani 1 1 d . U . . .
Sr1 Sr 0.2487(2) 0.5021(2) 1.0252(2) 0.0107(4) Uani 1 1 d . U . . .
K1 K 0.1801(6) 0.8302(6) 0.3057(6) 0.0301(13) Uani 1 1 d . U . . .
K2 K 0.4783(6) 0.1701(5) 0.2542(7) 0.0244(11) Uani 1 1 d . U . . .
K3 K 0.6849(9) 0.7201(7) 0.2842(9) 0.0455(16) Uani 1 1 d . U . . .
P1 P 0.6774(7) 0.3811(6) 0.0683(7) 0.0151(12) Uani 1 1 d . U . . .
P2 P 0.3907(7) 0.4906(6) 0.4093(7) 0.0164(12) Uani 1 1 d . U . . .
P3 P 0.8857(7) 0.6078(6) 0.0174(7) 0.0138(11) Uani 1 1 d . U . . .
P4 P 0.1470(7) 0.5374(6) 0.5790(7) 0.0136(11) Uani 1 1 d . U . . .
O1 O 0.2634(18) 0.5837(15) 0.4779(19) 0.018(3) Uani 1 1 d . U . . .
O2 O 0.0742(18) 0.3973(15) 0.5174(19) 0.017(3) Uani 1 1 d . U . . .
O3 O 1.0117(18) 0.5390(15) 0.1501(19) 0.017(3) Uani 1 1 d . U . . .
O4 O 0.7677(18) 0.2751(15) -0.0032(18) 0.024(3) Uani 1 1 d . U . . .
O5 O 0.0144(19) 0.6460(16) 0.551(2) 0.024(3) Uani 1 1 d . U . . .
O6 O 0.7553(19) 0.3822(16) 0.250(2) 0.023(3) Uani 1 1 d . U . . .
O7 O 0.8588(19) 0.7580(14) 0.0494(19) 0.021(3) Uani 1 1 d . U . . .
O8 O 0.499(2) 0.3648(15) 0.021(2) 0.021(3) Uani 1 1 d . U . . .
O9 O 0.7130(18) 0.5361(15) 0.0087(18) 0.017(3) Uani 1 1 d . U . . .
O10 O 0.919(2) 0.5801(16) -0.139(2) 0.024(3) Uani 1 1 d . U . . .
O11 O 0.2461(18) 0.5302(16) 0.7473(19) 0.020(3) Uani 1 1 d . U . . .
O12 O 0.524(2) 0.4507(18) 0.548(2) 0.034(3) Uani 1 1 d . U . . .
O13 O 0.421(2) 0.5894(17) 0.290(2) 0.027(3) Uani 1 1 d . U . . .
O14 O 0.2923(19) 0.3653(15) 0.324(2) 0.022(3) Uani 1 1 d . U . . .


_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
Bi1 O2 2.229(16) 2_556 ?
Bi1 O5 2.232(16) . ?
Bi1 O6 2.295(16) 2_656 ?
Bi1 O14 2.409(16) 2_556 ?
Bi1 O3 2.501(15) 2_656 ?
Bi1 O10 2.643(16) 1_456 ?
Bi1 P1 3.053(6) 2_656 ?
Bi1 Sr1 3.906(2) 2_557 ?
Bi1 K3 4.116(8) 1_455 ?
Bi1 Sr1 4.171(2) . ?
Bi1 K2 4.302(5) 2_556 ?
Sr1 O11 2.470(16) . ?
Sr1 O7 2.544(14) 2_646 ?
Sr1 O13 2.542(17) 1_556 ?
Sr1 O8 2.551(16) 1_556 ?
Sr1 O3 2.619(15) 1_456 ?
Sr1 O4 2.635(15) 2_656 ?
Sr1 O14 2.882(17) 1_556 ?
Sr1 O10 2.917(17) 1_456 ?
Sr1 P2 3.275(6) 1_556 ?
Sr1 P3 3.290(6) 1_456 ?
Sr1 K2 3.999(6) 1_556 ?
K1 O12 2.779(19) 2_656 ?
K1 O1 2.801(16) . ?
K1 O10 2.826(17) 2_655 ?
K1 O4 2.891(17) 2_655 ?
K1 O2 3.113(16) 2_556 ?
K1 O7 3.132(17) 1_455 ?
K1 O13 3.152(18) . ?
K1 O3 3.277(16) 1_455 ?
K1 O5 3.420(18) . ?
K1 P2 3.729(8) . ?
K1 P3 3.731(8) 1_455 ?
K1 P4 3.778(8) . ?
K2 O14 2.658(16) . ?
K2 O11 2.747(16) 2_646 ?
K2 O12 2.747(19) 2_646 ?
K2 O9 2.765(16) 2_645 ?
K2 O8 2.831(17) . ?
K2 O1 2.885(17) 2_646 ?
K2 O6 3.161(17) . ?
K2 P2 3.352(8) 2_646 ?
K2 P1 3.381(8) . ?
K2 O10 3.412(18) 2_645 ?
K2 P4 3.413(8) 2_646 ?
K2 P3 3.435(8) 2_645 ?
K3 O13 2.621(18) . ?
K3 O2 2.877(17) 2_656 ?
K3 O7 2.918(18) . ?
K3 O8 3.059(18) 2_655 ?
K3 O11 3.072(17) 2_656 ?
K3 O9 3.080(17) . ?
K3 O5 3.230(18) 1_655 ?
K3 O6 3.338(17) . ?
K3 P4 3.451(9) 2_656 ?
K3 P3 3.481(9) . ?
K3 P2 3.770(9) . ?
K3 P1 3.773(9) . ?
P1 O8 1.490(17) . ?
P1 O4 1.528(16) . ?
P1 O6 1.556(18) . ?
P1 O9 1.641(16) . ?
P2 O12 1.479(19) . ?
P2 O13 1.500(18) . ?
P2 O14 1.546(16) . ?
P2 O1 1.665(16) . ?
P3 O10 1.514(18) . ?
P3 O7 1.504(15) . ?
P3 O3 1.512(16) . ?
P3 O9 1.630(16) . ?
P4 O11 1.496(17) . ?
P4 O5 1.521(17) . ?
P4 O2 1.522(16) . ?
P4 O1 1.592(16) . ?

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
O2 Bi1 O5 70.0(6) 2_556 . ?
O2 Bi1 O6 86.3(6) 2_556 2_656 ?
O5 Bi1 O6 90.1(6) . 2_656 ?
O2 Bi1 O14 77.5(6) 2_556 2_556 ?
O5 Bi1 O14 109.8(6) . 2_556 ?
O6 Bi1 O14 147.6(5) 2_656 2_556 ?
O2 Bi1 O3 92.6(5) 2_556 2_656 ?
O5 Bi1 O3 159.6(5) . 2_656 ?
O6 Bi1 O3 77.9(5) 2_656 2_656 ?
O14 Bi1 O3 75.1(5) 2_556 2_656 ?
O2 Bi1 O10 137.8(5) 2_556 1_456 ?
O5 Bi1 O10 80.0(6) . 1_456 ?
O6 Bi1 O10 123.7(5) 2_656 1_456 ?
O14 Bi1 O10 85.8(5) 2_556 1_456 ?
O3 Bi1 O10 120.3(5) 2_656 1_456 ?
O2 Bi1 P1 114.4(4) 2_556 2_656 ?
O5 Bi1 P1 108.0(4) . 2_656 ?
O6 Bi1 P1 29.7(4) 2_656 2_656 ?
O14 Bi1 P1 142.1(4) 2_556 2_656 ?
O3 Bi1 P1 68.8(4) 2_656 2_656 ?
O10 Bi1 P1 102.5(4) 1_456 2_656 ?
O2 Bi1 Sr1 109.5(4) 2_556 2_557 ?
O5 Bi1 Sr1 153.8(4) . 2_557 ?
O6 Bi1 Sr1 116.1(4) 2_656 2_557 ?
O14 Bi1 Sr1 47.3(4) 2_556 2_557 ?
O3 Bi1 Sr1 41.4(3) 2_656 2_557 ?
O10 Bi1 Sr1 85.0(4) 1_456 2_557 ?
P1 Bi1 Sr1 96.11(12) 2_656 2_557 ?
O2 Bi1 K3 42.0(4) 2_556 1_455 ?
O5 Bi1 K3 51.3(4) . 1_455 ?
O6 Bi1 K3 120.1(4) 2_656 1_455 ?
O14 Bi1 K3 62.7(4) 2_556 1_455 ?
O3 Bi1 K3 121.6(4) 2_656 1_455 ?
O10 Bi1 K3 95.9(4) 1_456 1_455 ?
P1 Bi1 K3 149.36(15) 2_656 1_455 ?
Sr1 Bi1 K3 109.84(10) 2_557 1_455 ?
O2 Bi1 Sr1 145.9(4) 2_556 . ?
O5 Bi1 Sr1 79.0(4) . . ?
O6 Bi1 Sr1 79.7(4) 2_656 . ?
O14 Bi1 Sr1 127.9(4) 2_556 . ?
O3 Bi1 Sr1 114.2(4) 2_656 . ?
O10 Bi1 Sr1 43.9(4) 1_456 . ?
P1 Bi1 Sr1 61.84(11) 2_656 . ?
Sr1 Bi1 Sr1 104.57(3) 2_557 . ?
K3 Bi1 Sr1 123.26(10) 1_455 . ?
O2 Bi1 K2 101.0(4) 2_556 2_556 ?
O5 Bi1 K2 95.9(4) . 2_556 ?
O6 Bi1 K2 171.8(4) 2_656 2_556 ?
O14 Bi1 K2 33.7(4) 2_556 2_556 ?
O3 Bi1 K2 97.9(4) 2_656 2_556 ?
O10 Bi1 K2 52.5(4) 1_456 2_556 ?
P1 Bi1 K2 142.18(14) 2_656 2_556 ?
Sr1 Bi1 K2 58.07(8) 2_557 2_556 ?
K3 Bi1 K2 68.08(13) 1_455 2_556 ?
Sr1 Bi1 K2 95.95(8) . 2_556 ?
O11 Sr1 O7 86.8(5) . 2_646 ?
O11 Sr1 O13 136.0(5) . 1_556 ?
O7 Sr1 O13 128.4(5) 2_646 1_556 ?
O11 Sr1 O8 79.1(5) . 1_556 ?
O7 Sr1 O8 76.7(5) 2_646 1_556 ?
O13 Sr1 O8 84.4(5) 1_556 1_556 ?
O11 Sr1 O3 128.3(5) . 1_456 ?
O7 Sr1 O3 87.8(5) 2_646 1_456 ?
O13 Sr1 O3 83.9(5) 1_556 1_456 ?
O8 Sr1 O3 148.1(5) 1_556 1_456 ?
O11 Sr1 O4 80.3(5) . 2_656 ?
O7 Sr1 O4 153.3(5) 2_646 2_656 ?
O13 Sr1 O4 75.2(5) 1_556 2_656 ?
O8 Sr1 O4 122.9(5) 1_556 2_656 ?
O3 Sr1 O4 82.2(5) 1_456 2_656 ?
O11 Sr1 O14 157.9(5) . 1_556 ?
O7 Sr1 O14 76.1(5) 2_646 1_556 ?
O13 Sr1 O14 54.1(5) 1_556 1_556 ?
O8 Sr1 O14 83.4(5) 1_556 1_556 ?
O3 Sr1 O14 65.7(5) 1_456 1_556 ?
O4 Sr1 O14 120.9(5) 2_656 1_556 ?
O11 Sr1 O10 75.2(5) . 1_456 ?
O7 Sr1 O10 82.7(5) 2_646 1_456 ?
O13 Sr1 O10 127.8(5) 1_556 1_456 ?
O8 Sr1 O10 147.7(5) 1_556 1_456 ?
O3 Sr1 O10 53.1(4) 1_456 1_456 ?
O4 Sr1 O10 71.4(5) 2_656 1_456 ?
O14 Sr1 O10 115.5(5) 1_556 1_456 ?
O11 Sr1 P2 158.9(4) . 1_556 ?
O7 Sr1 P2 103.9(4) 2_646 1_556 ?
O13 Sr1 P2 26.2(4) 1_556 1_556 ?
O8 Sr1 P2 85.7(4) 1_556 1_556 ?
O3 Sr1 P2 71.0(4) 1_456 1_556 ?
O4 Sr1 P2 96.1(4) 2_656 1_556 ?
O14 Sr1 P2 28.2(3) 1_556 1_556 ?
O10 Sr1 P2 123.6(4) 1_456 1_556 ?
O11 Sr1 P3 102.0(4) . 1_456 ?
O7 Sr1 P3 90.1(4) 2_646 1_456 ?
O13 Sr1 P3 103.1(4) 1_556 1_456 ?
O8 Sr1 P3 166.7(4) 1_556 1_456 ?
O3 Sr1 P3 26.7(4) 1_456 1_456 ?
O4 Sr1 P3 70.1(3) 2_656 1_456 ?
O14 Sr1 P3 92.1(3) 1_556 1_456 ?
O10 Sr1 P3 27.4(4) 1_456 1_456 ?
P2 Sr1 P3 96.19(15) 1_556 1_456 ?
O11 Sr1 Bi1 139.6(4) . 2_547 ?
O7 Sr1 Bi1 59.3(4) 2_646 2_547 ?
O13 Sr1 Bi1 84.3(4) 1_556 2_547 ?
O8 Sr1 Bi1 110.1(4) 1_556 2_547 ?
O3 Sr1 Bi1 39.2(3) 1_456 2_547 ?
O4 Sr1 Bi1 119.8(3) 2_656 2_547 ?
O14 Sr1 Bi1 37.9(3) 1_556 2_547 ?
O10 Sr1 Bi1 79.0(3) 1_456 2_547 ?
P2 Sr1 Bi1 59.74(11) 1_556 2_547 ?
P3 Sr1 Bi1 60.54(11) 1_456 2_547 ?
O11 Sr1 K2 117.1(4) . 1_556 ?
O7 Sr1 K2 59.2(4) 2_646 1_556 ?
O13 Sr1 K2 73.6(4) 1_556 1_556 ?
O8 Sr1 K2 44.8(4) 1_556 1_556 ?
O3 Sr1 K2 103.4(3) 1_456 1_556 ?
O4 Sr1 K2 147.4(4) 2_656 1_556 ?
O14 Sr1 K2 41.6(3) 1_556 1_556 ?
O10 Sr1 K2 137.3(3) 1_456 1_556 ?
P2 Sr1 K2 57.28(13) 1_556 1_556 ?
P3 Sr1 K2 126.38(14) 1_456 1_556 ?
Bi1 Sr1 K2 65.92(9) 2_547 1_556 ?
O12 K1 O1 92.2(5) 2_656 . ?
O12 K1 O10 89.5(5) 2_656 2_655 ?
O1 K1 O10 176.9(5) . 2_655 ?
O12 K1 O4 98.1(5) 2_656 2_655 ?
O1 K1 O4 105.4(5) . 2_655 ?
O10 K1 O4 77.0(5) 2_655 2_655 ?
O12 K1 O2 111.8(5) 2_656 2_556 ?
O1 K1 O2 90.7(4) . 2_556 ?
O10 K1 O2 86.2(5) 2_655 2_556 ?
O4 K1 O2 145.5(5) 2_655 2_556 ?
O12 K1 O7 160.8(5) 2_656 1_455 ?
O1 K1 O7 104.2(4) . 1_455 ?
O10 K1 O7 74.6(4) 2_655 1_455 ?
O4 K1 O7 68.2(4) 2_655 1_455 ?
O2 K1 O7 78.4(4) 2_556 1_455 ?
O12 K1 O13 77.9(5) 2_656 . ?
O1 K1 O13 47.9(5) . . ?
O10 K1 O13 135.2(5) 2_655 . ?
O4 K1 O13 62.9(4) 2_655 . ?
O2 K1 O13 138.5(5) 2_556 . ?
O7 K1 O13 105.7(4) 1_455 . ?
O12 K1 O3 142.7(5) 2_656 1_455 ?
O1 K1 O3 61.4(4) . 1_455 ?
O10 K1 O3 118.4(4) 2_655 1_455 ?
O4 K1 O3 67.8(4) 2_655 1_455 ?
O2 K1 O3 95.4(4) 2_556 1_455 ?
O7 K1 O3 46.1(4) 1_455 1_455 ?
O13 K1 O3 64.9(4) . 1_455 ?
O12 K1 O5 114.8(5) 2_656 . ?
O1 K1 O5 46.0(4) . . ?
O10 K1 O5 130.8(5) 2_655 . ?
O4 K1 O5 134.3(4) 2_655 . ?
O2 K1 O5 45.8(4) 2_556 . ?
O7 K1 O5 84.2(4) 1_455 . ?
O13 K1 O5 92.9(4) . . ?
O3 K1 O5 66.9(4) 1_455 . ?
O12 K1 P2 85.9(4) 2_656 . ?
O1 K1 P2 24.7(3) . . ?
O10 K1 P2 158.3(4) 2_655 . ?
O4 K1 P2 82.7(3) 2_655 . ?
O2 K1 P2 115.2(3) 2_556 . ?
O7 K1 P2 104.9(3) 1_455 . ?
O13 K1 P2 23.3(3) . . ?
O3 K1 P2 58.9(3) 1_455 . ?
O5 K1 P2 69.8(3) . . ?
O12 K1 P3 157.0(4) 2_656 1_455 ?
O1 K1 P3 84.7(4) . 1_455 ?
O10 K1 P3 94.8(4) 2_655 1_455 ?
O4 K1 P3 61.1(3) 2_655 1_455 ?
O2 K1 P3 91.1(3) 2_556 1_455 ?
O7 K1 P3 23.3(3) 1_455 1_455 ?
O13 K1 P3 83.2(3) . 1_455 ?
O3 K1 P3 23.8(3) 1_455 1_455 ?
O5 K1 P3 79.0(3) . 1_455 ?
P2 K1 P3 81.84(17) . 1_455 ?
O12 K1 P4 103.9(4) 2_656 . ?
O1 K1 P4 22.3(3) . . ?
O10 K1 P4 154.6(4) 2_655 . ?
O4 K1 P4 121.2(3) 2_655 . ?
O2 K1 P4 68.8(3) 2_556 . ?
O7 K1 P4 94.9(3) 1_455 . ?
O13 K1 P4 69.6(3) . . ?
O3 K1 P4 61.7(3) 1_455 . ?
O5 K1 P4 23.7(3) . . ?
P2 K1 P4 46.36(14) . . ?
P3 K1 P4 81.34(17) 1_455 . ?
O14 K2 O11 158.9(5) . 2_646 ?
O14 K2 O12 106.3(6) . 2_646 ?
O11 K2 O12 77.9(5) 2_646 2_646 ?
O14 K2 O9 105.4(5) . 2_645 ?
O11 K2 O9 94.7(5) 2_646 2_645 ?
O12 K2 O9 93.9(5) 2_646 2_645 ?
O14 K2 O8 82.5(5) . . ?
O11 K2 O8 94.9(5) 2_646 . ?
O12 K2 O8 170.8(5) 2_646 . ?
O9 K2 O8 80.9(5) 2_645 . ?
O14 K2 O1 113.2(5) . 2_646 ?
O11 K2 O1 52.3(5) 2_646 2_646 ?
O12 K2 O1 53.0(5) 2_646 2_646 ?
O9 K2 O1 134.3(5) 2_645 2_646 ?
O8 K2 O1 126.5(5) . 2_646 ?
O14 K2 O6 93.4(5) . . ?
O11 K2 O6 69.6(4) 2_646 . ?
O12 K2 O6 130.3(5) 2_646 . ?
O9 K2 O6 124.5(5) 2_645 . ?
O8 K2 O6 50.0(5) . . ?
O1 K2 O6 77.4(4) 2_646 . ?
O14 K2 P2 103.5(4) . 2_646 ?
O11 K2 P2 71.1(4) 2_646 2_646 ?
O12 K2 P2 25.7(4) 2_646 2_646 ?
O9 K2 P2 118.6(4) 2_645 2_646 ?
O8 K2 P2 156.0(4) . 2_646 ?
O1 K2 P2 29.8(3) 2_646 2_646 ?
O6 K2 P2 106.1(3) . 2_646 ?
O14 K2 P1 96.7(4) . . ?
O11 K2 P1 74.1(4) 2_646 . ?
O12 K2 P1 150.4(4) 2_646 . ?
O9 K2 P1 97.9(4) 2_645 . ?
O8 K2 P1 25.9(3) . . ?
O1 K2 P1 100.9(4) 2_646 . ?
O6 K2 P1 27.2(3) . . ?
P2 K2 P1 130.6(2) 2_646 . ?
O14 K2 O10 67.8(4) . 2_645 ?
O11 K2 O10 132.8(5) 2_646 2_645 ?
O12 K2 O10 78.9(5) 2_646 2_645 ?
O9 K2 O10 46.9(4) 2_645 2_645 ?
O8 K2 O10 102.6(5) . 2_645 ?
O1 K2 O10 130.9(5) 2_646 2_645 ?
O6 K2 O10 150.0(4) . 2_645 ?
P2 K2 O10 101.2(3) 2_646 2_645 ?
P1 K2 O10 128.2(3) . 2_645 ?
O14 K2 P4 136.9(4) . 2_646 ?
O11 K2 P4 25.3(4) 2_646 2_646 ?
O12 K2 P4 67.3(4) 2_646 2_646 ?
O9 K2 P4 117.4(4) 2_645 2_646 ?
O8 K2 P4 108.2(4) . 2_646 ?
O1 K2 P4 27.7(3) 2_646 2_646 ?
O6 K2 P4 67.3(3) . 2_646 ?
P2 K2 P4 51.79(16) 2_646 2_646 ?
P1 K2 P4 83.12(18) . 2_646 ?
O10 K2 P4 142.2(3) 2_645 2_646 ?
O14 K2 P3 77.8(4) . 2_645 ?
O11 K2 P3 122.6(4) 2_646 2_645 ?
O12 K2 P3 98.1(4) 2_646 2_645 ?
O9 K2 P3 27.9(3) 2_645 2_645 ?
O8 K2 P3 80.9(4) . 2_645 ?
O1 K2 P3 150.5(4) 2_646 2_645 ?
O6 K2 P3 130.9(4) . 2_645 ?
P2 K2 P3 123.0(2) 2_646 2_645 ?
P1 K2 P3 105.0(2) . 2_645 ?
O10 K2 P3 25.6(3) 2_645 2_645 ?
P4 K2 P3 144.1(2) 2_646 2_645 ?
O13 K3 O2 139.3(6) . 2_656 ?
O13 K3 O7 134.7(6) . . ?
O2 K3 O7 85.9(5) 2_656 . ?
O13 K3 O8 89.8(5) . 2_655 ?
O2 K3 O8 112.1(5) 2_656 2_655 ?
O7 K3 O8 63.8(4) . 2_655 ?
O13 K3 O11 131.4(5) . 2_656 ?
O2 K3 O11 49.7(4) 2_656 2_656 ?
O7 K3 O11 70.2(4) . 2_656 ?
O8 K3 O11 62.9(4) 2_655 2_656 ?
O13 K3 O9 90.3(5) . . ?
O2 K3 O9 128.1(5) 2_656 . ?
O7 K3 O9 48.2(4) . . ?
O8 K3 O9 72.5(4) 2_655 . ?
O11 K3 O9 115.2(5) 2_656 . ?
O13 K3 O5 118.3(5) . 1_655 ?
O2 K3 O5 49.1(4) 2_656 1_655 ?
O7 K3 O5 91.2(5) . 1_655 ?
O8 K3 O5 151.6(5) 2_655 1_655 ?
O11 K3 O5 97.2(5) 2_656 1_655 ?
O9 K3 O5 101.6(4) . 1_655 ?
O13 K3 O6 73.6(5) . . ?
O2 K3 O6 120.9(5) 2_656 . ?
O7 K3 O6 84.9(4) . . ?
O8 K3 O6 115.2(5) 2_655 . ?
O11 K3 O6 153.2(5) 2_656 . ?
O9 K3 O6 46.4(4) . . ?
O5 K3 O6 72.9(4) 1_655 . ?
O13 K3 P4 134.5(4) . 2_656 ?
O2 K3 P4 25.9(3) 2_656 2_656 ?
O7 K3 P4 83.5(3) . 2_656 ?
O8 K3 P4 88.3(3) 2_655 2_656 ?
O11 K3 P4 25.7(3) 2_656 2_656 ?
O9 K3 P4 131.8(4) . 2_656 ?
O5 K3 P4 75.0(3) 1_655 2_656 ?
O6 K3 P4 145.5(4) . 2_656 ?
O13 K3 P3 118.1(4) . . ?
O2 K3 P3 100.5(4) 2_656 . ?
O7 K3 P3 25.3(3) . . ?
O8 K3 P3 77.1(4) 2_655 . ?
O11 K3 P3 95.3(4) 2_656 . ?
O9 K3 P3 27.9(3) . . ?
O5 K3 P3 85.4(4) 1_655 . ?
O6 K3 P3 59.7(3) . . ?
P4 K3 P3 105.7(2) 2_656 . ?
O13 K3 P2 17.6(4) . . ?
O2 K3 P2 127.0(4) 2_656 . ?
O7 K3 P2 144.3(4) . . ?
O8 K3 P2 107.4(4) 2_655 . ?
O11 K3 P2 139.6(4) 2_656 . ?
O9 K3 P2 96.2(3) . . ?
O5 K3 P2 100.8(4) 1_655 . ?
O6 K3 P2 67.2(3) . . ?
P4 K3 P2 132.0(3) 2_656 . ?
P3 K3 P2 121.9(2) . . ?
O13 K3 P1 72.9(4) . . ?
O2 K3 P1 136.6(4) 2_656 . ?
O7 K3 P1 71.6(3) . . ?
O8 K3 P1 90.9(4) 2_655 . ?
O11 K3 P1 140.3(4) 2_656 . ?
O9 K3 P1 25.2(3) . . ?
O5 K3 P1 93.7(3) 1_655 . ?
O6 K3 P1 24.3(3) . . ?
P4 K3 P1 152.6(3) 2_656 . ?
P3 K3 P1 47.73(16) . . ?
P2 K3 P1 74.13(18) . . ?
O8 P1 O4 115.3(9) . . ?
O8 P1 O6 113.7(10) . . ?
O4 P1 O6 108.0(9) . . ?
O8 P1 O9 106.3(8) . . ?
O4 P1 O9 107.9(8) . . ?
O6 P1 O9 105.0(9) . . ?
O8 P1 Bi1 151.5(7) . 2_646 ?
O4 P1 Bi1 65.2(6) . 2_646 ?
O6 P1 Bi1 47.1(6) . 2_646 ?
O9 P1 Bi1 100.0(6) . 2_646 ?
O8 P1 K2 56.0(7) . . ?
O4 P1 K2 101.2(6) . . ?
O6 P1 K2 68.5(6) . . ?
O9 P1 K2 150.6(6) . . ?
Bi1 P1 K2 95.48(18) 2_646 . ?
O8 P1 K3 95.7(6) . . ?
O4 P1 K3 148.2(7) . . ?
O6 P1 K3 62.0(6) . . ?
O9 P1 K3 53.1(6) . . ?
Bi1 P1 K3 91.23(18) 2_646 . ?
K2 P1 K3 102.1(2) . . ?
O12 P2 O13 119.8(10) . . ?
O12 P2 O14 113.4(10) . . ?
O13 P2 O14 109.5(10) . . ?
O12 P2 O1 106.2(10) . . ?
O13 P2 O1 100.6(9) . . ?
O14 P2 O1 105.5(9) . . ?
O12 P2 Sr1 147.9(8) . 1_554 ?
O13 P2 Sr1 48.5(7) . 1_554 ?
O14 P2 Sr1 61.6(6) . 1_554 ?
O1 P2 Sr1 105.5(6) . 1_554 ?
O12 P2 K2 53.6(7) . 2_656 ?
O13 P2 K2 102.5(7) . 2_656 ?
O14 P2 K2 147.0(7) . 2_656 ?
O1 P2 K2 59.4(6) . 2_656 ?
Sr1 P2 K2 147.0(2) 1_554 2_656 ?
O12 P2 K2 83.9(7) . . ?
O13 P2 K2 100.3(7) . . ?
O14 P2 K2 44.0(6) . . ?
O1 P2 K2 147.9(6) . . ?
Sr1 P2 K2 71.68(15) 1_554 . ?
K2 P2 K2 137.5(2) 2_656 . ?
O12 P2 K1 130.1(8) . . ?
O13 P2 K1 56.2(7) . . ?
O14 P2 K1 113.5(7) . . ?
O1 P2 K1 44.7(6) . . ?
Sr1 P2 K1 72.62(15) 1_554 . ?
K2 P2 K1 77.63(17) 2_656 . ?
K2 P2 K1 144.2(2) . . ?
O12 P2 K3 87.8(8) . . ?
O13 P2 K3 32.0(7) . . ?
O14 P2 K3 129.7(7) . . ?
O1 P2 K3 111.5(6) . . ?
Sr1 P2 K3 76.20(17) 1_554 . ?
K2 P2 K3 82.66(19) 2_656 . ?
K2 P2 K3 99.1(2) . . ?
K1 P2 K3 74.90(17) . . ?
O10 P3 O7 114.9(9) . . ?
O10 P3 O3 110.6(9) . . ?
O7 P3 O3 113.0(9) . . ?
O10 P3 O9 106.9(9) . . ?
O7 P3 O9 103.1(9) . . ?
O3 P3 O9 107.7(8) . . ?
O10 P3 Sr1 62.4(7) . 1_654 ?
O7 P3 Sr1 119.4(7) . 1_654 ?
O3 P3 Sr1 51.1(6) . 1_654 ?
O9 P3 Sr1 136.9(6) . 1_654 ?
O10 P3 K2 76.4(7) . 2_655 ?
O7 P3 K2 78.7(6) . 2_655 ?
O3 P3 K2 159.9(7) . 2_655 ?
O9 P3 K2 52.5(6) . 2_655 ?
Sr1 P3 K2 138.8(2) 1_654 2_655 ?
O10 P3 K3 159.3(7) . . ?
O7 P3 K3 55.9(6) . . ?
O3 P3 K3 89.9(6) . . ?
O9 P3 K3 62.2(6) . . ?
Sr1 P3 K3 137.9(2) 1_654 . ?
K2 P3 K3 83.3(2) 2_655 . ?
O10 P3 K1 117.2(7) . 1_655 ?
O7 P3 K1 55.4(6) . 1_655 ?
O3 P3 K1 61.0(6) . 1_655 ?
O9 P3 K1 135.7(6) . 1_655 ?
Sr1 P3 K1 72.44(14) 1_654 1_655 ?
K2 P3 K1 133.9(2) 2_655 1_655 ?
K3 P3 K1 74.58(18) . 1_655 ?
O10 P3 K1 39.0(6) . 2_645 ?
O7 P3 K1 144.2(7) . 2_645 ?
O3 P3 K1 101.4(6) . 2_645 ?
O9 P3 K1 74.3(6) . 2_645 ?
Sr1 P3 K1 74.88(14) 1_654 2_645 ?
K2 P3 K1 71.74(16) 2_655 2_645 ?
K3 P3 K1 136.5(2) . 2_645 ?
K1 P3 K1 146.91(17) 1_655 2_645 ?
O11 P4 O5 112.8(10) . . ?
O11 P4 O2 112.3(9) . . ?
O5 P4 O2 109.4(9) . . ?
O11 P4 O1 107.3(9) . . ?
O5 P4 O1 106.7(9) . . ?
O2 P4 O1 108.1(9) . . ?
O11 P4 K2 51.6(6) . 2_656 ?
O5 P4 K2 113.3(7) . 2_656 ?
O2 P4 K2 137.2(7) . 2_656 ?
O1 P4 K2 57.4(6) . 2_656 ?
O11 P4 K3 62.8(6) . 2_646 ?
O5 P4 K3 152.8(7) . 2_646 ?
O2 P4 K3 55.5(6) . 2_646 ?
O1 P4 K3 100.0(6) . 2_646 ?
K2 P4 K3 85.6(2) 2_656 2_646 ?
O11 P4 K1 123.1(6) . . ?
O5 P4 K1 64.8(7) . . ?
O2 P4 K1 122.0(7) . . ?
O1 P4 K1 41.8(6) . . ?
K2 P4 K1 76.25(16) 2_656 . ?
K3 P4 K1 141.6(2) 2_646 . ?
O11 P4 K1 88.3(6) . 2_546 ?
O5 P4 K1 79.6(7) . 2_546 ?
O2 P4 K1 51.1(6) . 2_546 ?
O1 P4 K1 158.5(6) . 2_546 ?
K2 P4 K1 139.9(2) 2_656 2_546 ?
K3 P4 K1 73.57(18) 2_646 2_546 ?
K1 P4 K1 138.99(17) . 2_546 ?
P4 O1 P2 130.3(10) . . ?
P4 O1 K1 115.9(8) . . ?
P2 O1 K1 110.6(8) . . ?
P4 O1 K2 94.9(7) . 2_656 ?
P2 O1 K2 90.9(7) . 2_656 ?
K1 O1 K2 102.9(5) . 2_656 ?
P4 O2 Bi1 130.8(9) . 2_546 ?
P4 O2 K3 98.6(8) . 2_646 ?
Bi1 O2 K3 106.7(6) 2_546 2_646 ?
P4 O2 K1 106.5(8) . 2_546 ?
Bi1 O2 K1 112.9(6) 2_546 2_546 ?
K3 O2 K1 93.7(5) 2_646 2_546 ?
P3 O3 Bi1 130.4(9) . 2_646 ?
P3 O3 Sr1 102.2(8) . 1_654 ?
Bi1 O3 Sr1 99.4(5) 2_646 1_654 ?
P3 O3 K1 95.2(7) . 1_655 ?
Bi1 O3 K1 129.3(6) 2_646 1_655 ?
Sr1 O3 K1 89.1(4) 1_654 1_655 ?
P1 O4 Sr1 132.3(9) . 2_646 ?
P1 O4 K1 119.7(8) . 2_645 ?
Sr1 O4 K1 97.7(5) 2_646 2_645 ?
P4 O5 Bi1 125.8(10) . . ?
P4 O5 K3 137.9(9) . 1_455 ?
Bi1 O5 K3 96.1(5) . 1_455 ?
P4 O5 K1 91.4(7) . . ?
Bi1 O5 K1 102.8(5) . . ?
K3 O5 K1 82.2(4) 1_455 . ?
P1 O6 Bi1 103.2(8) . 2_646 ?
P1 O6 K2 84.3(7) . . ?
Bi1 O6 K2 120.9(6) 2_646 . ?
P1 O6 K3 93.7(7) . . ?
Bi1 O6 K3 119.9(6) 2_646 . ?
K2 O6 K3 117.9(5) . . ?
P3 O7 Sr1 154.6(10) . 2_656 ?
P3 O7 K3 98.8(7) . . ?
Sr1 O7 K3 94.3(5) 2_656 . ?
P3 O7 K1 101.3(7) . 1_655 ?
Sr1 O7 K1 99.7(5) 2_656 1_655 ?
K3 O7 K1 92.5(5) . 1_655 ?
P1 O8 Sr1 139.6(9) . 1_554 ?
P1 O8 K2 98.1(8) . . ?
Sr1 O8 K2 95.8(5) 1_554 . ?
P1 O8 K3 122.3(9) . 2_645 ?
Sr1 O8 K3 90.9(5) 1_554 2_645 ?
K2 O8 K3 102.6(5) . 2_645 ?
P3 O9 P1 128.6(10) . . ?
P3 O9 K2 99.6(7) . 2_655 ?
P1 O9 K2 124.9(8) . 2_655 ?
P3 O9 K3 89.9(6) . . ?
P1 O9 K3 101.7(7) . . ?
K2 O9 K3 103.6(5) 2_655 . ?
P3 O10 Bi1 113.7(8) . 1_654 ?
P3 O10 K1 121.3(9) . 2_645 ?
Bi1 O10 K1 122.4(7) 1_654 2_645 ?
P3 O10 Sr1 90.2(8) . 1_654 ?
Bi1 O10 Sr1 97.1(5) 1_654 1_654 ?
K1 O10 Sr1 98.6(5) 2_645 1_654 ?
P3 O10 K2 78.1(7) . 2_655 ?
Bi1 O10 K2 89.6(5) 1_654 2_655 ?
K1 O10 K2 85.9(4) 2_645 2_655 ?
Sr1 O10 K2 168.0(7) 1_654 2_655 ?
P4 O11 Sr1 146.9(9) . . ?
P4 O11 K2 103.1(8) . 2_656 ?
Sr1 O11 K2 107.3(6) . 2_656 ?
P4 O11 K3 91.5(7) . 2_646 ?
Sr1 O11 K3 92.1(5) . 2_646 ?
K2 O11 K3 106.5(5) 2_656 2_646 ?
P2 O12 K2 100.7(9) . 2_656 ?
P2 O12 K1 153.7(12) . 2_646 ?
K2 O12 K1 101.3(6) 2_656 2_646 ?
P2 O13 Sr1 105.3(8) . 1_554 ?
P2 O13 K3 130.4(10) . . ?
Sr1 O13 K3 115.4(7) 1_554 . ?
P2 O13 K1 100.5(8) . . ?
Sr1 O13 K1 93.4(5) 1_554 . ?
K3 O13 K1 104.0(5) . . ?
P2 O14 Bi1 131.1(9) . 2_546 ?
P2 O14 K2 112.2(8) . . ?
Bi1 O14 K2 116.1(6) 2_546 . ?
P2 O14 Sr1 90.2(7) . 1_554 ?
Bi1 O14 Sr1 94.8(5) 2_546 1_554 ?
K2 O14 Sr1 92.3(5) . 1_554 ?

_refine_diff_density_max         2.550
_refine_diff_density_min         -1.870
_refine_diff_density_rms         0.354



####################################################################### 
# 
# 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_TY3_67_0m_b
_database_code_depnum_ccdc_archive 'CCDC 2046528'
loop_
_audit_author_name
_audit_author_address
'Shiwei Liu'
;TianJin University of Technology
China
;
_audit_update_record             
;
2020-11-26 deposited with the CCDC.	2021-02-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            BiO14P4Rb3Sr
_chemical_formula_weight         450.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Bi Bi -4.1077 10.2566 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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.
;

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

_cell_length_a                   8.976(3)
_cell_length_b                   9.494(4)
_cell_length_c                   9.219(4)
_cell_angle_alpha                90
_cell_angle_beta                 106.052(13)
_cell_angle_gamma                90
_cell_volume                     755.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    297(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.963
_exptl_crystal_F_000             808
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    25.269
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      297(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            7667
_diffrn_reflns_av_unetI/netI     0.0624
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.299
_diffrn_reflns_theta_max         27.522
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.972
_diffrn_reflns_point_group_measured_fraction_full 0.977
_reflns_number_total             3370
_reflns_number_gt                3019
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.847
_reflns_Friedel_fraction_max     0.948
_reflns_Friedel_fraction_full    0.958

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1102P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1178 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.042(9)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3370
_refine_ls_number_parameters     208
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0581
_refine_ls_wR_factor_ref         0.1623
_refine_ls_wR_factor_gt          0.1558
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Bi1 Bi 0.50100(9) 0.49430(11) 0.72694(9) 0.0304(3) Uani 1 1 d . . . . .
Sr1 Sr 0.7462(3) 1.1622(3) 1.0006(3) 0.0296(5) Uani 1 1 d . . . . .
Rb1 Rb 0.3322(3) 0.9916(4) 0.6852(3) 0.0469(6) Uani 1 1 d . . . . .
Rb2 Rb 0.9950(3) -0.1622(3) 0.2504(3) 0.0422(6) Uani 1 1 d . . . . .
Rb3 Rb 1.1393(4) 0.3475(4) 0.2811(4) 0.0545(8) Uani 1 1 d . . . . .
P1 P 0.6373(8) 0.2047(7) 0.5714(8) 0.0329(13) Uani 1 1 d . . . . .
P2 P 0.8675(7) 0.0983(7) 0.4277(8) 0.0326(13) Uani 1 1 d . . . . .
P3 P 0.8331(8) 0.5578(8) 0.9771(8) 0.0343(14) Uani 1 1 d . . . . .
P4 P 0.5993(8) 0.7715(7) 1.0126(7) 0.0328(13) Uani 1 1 d . . . . .
O1 O 0.532(2) 0.762(2) 1.145(3) 0.040(5) Uani 1 1 d . . . . .
O2 O 0.996(2) 0.615(3) 1.018(3) 0.060(7) Uani 1 1 d . . . . .
O3 O 0.882(2) 0.148(3) 0.280(2) 0.052(5) Uani 1 1 d . . . . .
O4 O 1.011(2) 0.085(3) 0.548(2) 0.052(6) Uani 1 1 d . . . . .
O5 O 0.501(2) 0.130(3) 0.467(2) 0.050(6) Uani 1 1 d . . . . .
O6 O 0.705(3) 0.137(3) 0.717(2) 0.054(6) Uani 1 1 d . . . . .
O7 O 0.589(3) 0.363(2) 0.581(3) 0.060(6) Uani 1 1 d . . . . .
O8 O 0.673(3) 0.912(2) 0.997(3) 0.057(6) Uani 1 1 d . . . . .
O9 O 0.764(2) 0.219(2) 0.481(2) 0.039(4) Uani 1 1 d . . . . .
O10 O 0.486(2) 0.716(2) 0.870(2) 0.037(4) Uani 1 1 d . . . . .
O11 O 0.763(2) -0.030(2) 0.411(2) 0.042(5) Uani 1 1 d . . . . .
O12 O 0.755(3) 0.569(3) 0.806(2) 0.050(5) Uani 1 1 d . . . . .
O13 O 0.811(5) 0.411(3) 1.033(3) 0.095(13) Uani 1 1 d . . . . .
O14 O 0.737(3) 0.658(4) 1.065(3) 0.074(8) 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
Bi1 O7 2.14(2) . ?
Bi1 O5 2.20(2) 2_656 ?
Bi1 O12 2.30(2) . ?
Bi1 O11 2.366(19) 2_656 ?
Bi1 O10 2.51(2) . ?
Bi1 O1 2.55(2) 2_647 ?
Bi1 Sr1 4.106(3) 2_647 ?
Bi1 Rb1 4.453(3) 2_646 ?
Sr1 O2 2.41(2) 2_757 ?
Sr1 O13 2.43(3) 1_565 ?
Sr1 O8 2.46(2) . ?
Sr1 O3 2.53(2) 1_566 ?
Sr1 O6 2.55(2) 1_565 ?
Sr1 O1 2.67(2) 2_657 ?
Sr1 O10 2.72(2) 2_657 ?
Sr1 P4 3.241(7) 2_657 ?
Sr1 Rb2 4.063(4) 2_766 ?
Sr1 Rb2 4.114(4) 1_566 ?
Sr1 Rb3 4.145(4) 1_566 ?
Rb1 O4 2.950(19) 1_465 ?
Rb1 O7 2.99(3) 2_656 ?
Rb1 O14 3.00(3) 2_657 ?
Rb1 O9 3.01(2) 2_656 ?
Rb1 O1 3.08(2) 2_657 ?
Rb1 O5 3.13(2) 1_565 ?
Rb1 O10 3.22(2) . ?
Rb1 O13 3.29(4) 2_657 ?
Rb1 O6 3.56(3) 1_565 ?
Rb1 P1 3.667(8) 2_656 ?
Rb1 P4 3.775(8) 2_657 ?
Rb1 P1 3.779(8) 1_565 ?
Rb2 O14 3.00(3) 1_544 ?
Rb2 O2 3.01(3) 1_544 ?
Rb2 O9 3.024(19) 2_746 ?
Rb2 O4 3.04(2) 2_746 ?
Rb2 O11 3.133(19) . ?
Rb2 O3 3.15(3) . ?
Rb2 O6 3.24(3) 2_746 ?
Rb2 O8 3.25(3) 1_544 ?
Rb2 O12 3.28(2) 2_746 ?
Rb2 P2 3.336(8) . ?
Rb2 P1 3.492(7) 2_746 ?
Rb2 O4 3.59(2) . ?
Rb3 O11 2.97(2) 2_756 ?
Rb3 O3 2.98(2) . ?
Rb3 O12 2.99(3) 2_746 ?
Rb3 O6 3.08(2) 2_756 ?
Rb3 O13 3.25(4) 1_554 ?
Rb3 O4 3.25(3) 2_756 ?
Rb3 O2 3.47(3) 2_746 ?
Rb3 O8 3.49(3) 2_746 ?
Rb3 O2 3.51(3) 1_554 ?
Rb3 P2 3.602(8) 2_756 ?
Rb3 P3 3.690(8) 2_746 ?
Rb3 P3 3.890(8) 1_554 ?
P1 O6 1.46(2) . ?
P1 O5 1.51(2) . ?
P1 O7 1.58(2) . ?
P1 O9 1.594(19) . ?
P2 O4 1.453(19) . ?
P2 O3 1.48(2) . ?
P2 O11 1.521(19) . ?
P2 O9 1.629(19) . ?
P3 O2 1.51(2) . ?
P3 O13 1.52(3) . ?
P3 O12 1.54(2) . ?
P3 O14 1.64(3) . ?
P4 O1 1.51(2) . ?
P4 O8 1.51(2) . ?
P4 O10 1.52(2) . ?
P4 O14 1.61(3) . ?

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
O7 Bi1 O5 75.6(9) . 2_656 ?
O7 Bi1 O12 82.7(9) . . ?
O5 Bi1 O12 82.0(8) 2_656 . ?
O7 Bi1 O11 95.3(9) . 2_656 ?
O5 Bi1 O11 80.7(8) 2_656 2_656 ?
O12 Bi1 O11 162.6(7) . 2_656 ?
O7 Bi1 O10 154.6(8) . . ?
O5 Bi1 O10 86.9(8) 2_656 . ?
O12 Bi1 O10 76.7(7) . . ?
O11 Bi1 O10 99.9(6) 2_656 . ?
O7 Bi1 O1 84.2(8) . 2_647 ?
O5 Bi1 O1 154.8(9) 2_656 2_647 ?
O12 Bi1 O1 110.5(8) . 2_647 ?
O11 Bi1 O1 86.3(7) 2_656 2_647 ?
O10 Bi1 O1 116.8(6) . 2_647 ?
O7 Bi1 Sr1 165.2(6) . 2_647 ?
O5 Bi1 Sr1 112.6(6) 2_656 2_647 ?
O12 Bi1 Sr1 110.1(5) . 2_647 ?
O11 Bi1 Sr1 74.7(5) 2_656 2_647 ?
O10 Bi1 Sr1 40.1(5) . 2_647 ?
O1 Bi1 Sr1 84.3(5) 2_647 2_647 ?
O7 Bi1 Rb1 35.9(6) . 2_646 ?
O5 Bi1 Rb1 40.5(6) 2_656 2_646 ?
O12 Bi1 Rb1 74.6(5) . 2_646 ?
O11 Bi1 Rb1 93.7(5) 2_656 2_646 ?
O10 Bi1 Rb1 122.3(5) . 2_646 ?
O1 Bi1 Rb1 119.9(5) 2_647 2_646 ?
Sr1 Bi1 Rb1 152.94(7) 2_647 2_646 ?
O2 Sr1 O13 89.3(13) 2_757 1_565 ?
O2 Sr1 O8 94.6(10) 2_757 . ?
O13 Sr1 O8 173.0(10) 1_565 . ?
O2 Sr1 O3 82.0(7) 2_757 1_566 ?
O13 Sr1 O3 83.9(9) 1_565 1_566 ?
O8 Sr1 O3 90.9(8) . 1_566 ?
O2 Sr1 O6 77.2(8) 2_757 1_565 ?
O13 Sr1 O6 100.3(9) 1_565 1_565 ?
O8 Sr1 O6 86.3(8) . 1_565 ?
O3 Sr1 O6 158.7(7) 1_566 1_565 ?
O2 Sr1 O1 144.7(7) 2_757 2_657 ?
O13 Sr1 O1 82.7(10) 1_565 2_657 ?
O8 Sr1 O1 97.3(8) . 2_657 ?
O3 Sr1 O1 130.8(7) 1_566 2_657 ?
O6 Sr1 O1 70.6(7) 1_565 2_657 ?
O2 Sr1 O10 158.9(7) 2_757 2_657 ?
O13 Sr1 O10 87.0(11) 1_565 2_657 ?
O8 Sr1 O10 87.3(8) . 2_657 ?
O3 Sr1 O10 77.0(6) 1_566 2_657 ?
O6 Sr1 O10 123.9(7) 1_565 2_657 ?
O1 Sr1 O10 55.2(6) 2_657 2_657 ?
O2 Sr1 P4 170.0(7) 2_757 2_657 ?
O13 Sr1 P4 83.5(10) 1_565 2_657 ?
O8 Sr1 P4 93.3(7) . 2_657 ?
O3 Sr1 P4 104.0(5) 1_566 2_657 ?
O6 Sr1 P4 97.3(5) 1_565 2_657 ?
O1 Sr1 P4 27.4(5) 2_657 2_657 ?
O10 Sr1 P4 27.7(4) 2_657 2_657 ?
O2 Sr1 Rb2 47.4(6) 2_757 2_766 ?
O13 Sr1 Rb2 61.1(9) 1_565 2_766 ?
O8 Sr1 Rb2 125.6(6) . 2_766 ?
O3 Sr1 Rb2 114.2(5) 1_566 2_766 ?
O6 Sr1 Rb2 52.9(6) 1_565 2_766 ?
O1 Sr1 Rb2 99.8(5) 2_657 2_766 ?
O10 Sr1 Rb2 143.1(5) 2_657 2_766 ?
P4 Sr1 Rb2 122.64(15) 2_657 2_766 ?
O2 Sr1 Bi1 131.6(6) 2_757 2_657 ?
O13 Sr1 Bi1 116.9(9) 1_565 2_657 ?
O8 Sr1 Bi1 56.3(6) . 2_657 ?
O3 Sr1 Bi1 63.1(5) 1_566 2_657 ?
O6 Sr1 Bi1 130.0(6) 1_565 2_657 ?
O1 Sr1 Bi1 81.8(5) 2_657 2_657 ?
O10 Sr1 Bi1 36.5(5) 2_657 2_657 ?
P4 Sr1 Bi1 58.23(13) 2_657 2_657 ?
Rb2 Sr1 Bi1 177.11(8) 2_766 2_657 ?
O2 Sr1 Rb2 61.2(6) 2_757 1_566 ?
O13 Sr1 Rb2 125.8(8) 1_565 1_566 ?
O8 Sr1 Rb2 52.2(6) . 1_566 ?
O3 Sr1 Rb2 50.0(6) 1_566 1_566 ?
O6 Sr1 Rb2 113.9(5) 1_565 1_566 ?
O1 Sr1 Rb2 146.9(5) 2_657 1_566 ?
O10 Sr1 Rb2 105.0(4) 2_657 1_566 ?
P4 Sr1 Rb2 128.76(15) 2_657 1_566 ?
Rb2 Sr1 Rb2 108.60(7) 2_766 1_566 ?
Bi1 Sr1 Rb2 70.63(6) 2_657 1_566 ?
O2 Sr1 Rb3 56.9(7) 2_757 1_566 ?
O13 Sr1 Rb3 51.5(8) 1_565 1_566 ?
O8 Sr1 Rb3 126.6(6) . 1_566 ?
O3 Sr1 Rb3 45.5(6) 1_566 1_566 ?
O6 Sr1 Rb3 122.4(6) 1_565 1_566 ?
O1 Sr1 Rb3 132.9(5) 2_657 1_566 ?
O10 Sr1 Rb3 105.6(4) 2_657 1_566 ?
P4 Sr1 Rb3 121.87(15) 2_657 1_566 ?
Rb2 Sr1 Rb3 70.06(8) 2_766 1_566 ?
Bi1 Sr1 Rb3 107.08(8) 2_657 1_566 ?
Rb2 Sr1 Rb3 74.45(8) 1_566 1_566 ?
O4 Rb1 O7 101.4(7) 1_465 2_656 ?
O4 Rb1 O14 77.5(7) 1_465 2_657 ?
O7 Rb1 O14 172.2(7) 2_656 2_657 ?
O4 Rb1 O9 86.1(6) 1_465 2_656 ?
O7 Rb1 O9 48.2(5) 2_656 2_656 ?
O14 Rb1 O9 138.8(7) 2_657 2_656 ?
O4 Rb1 O1 99.7(6) 1_465 2_657 ?
O7 Rb1 O1 127.3(6) 2_656 2_657 ?
O14 Rb1 O1 46.1(7) 2_657 2_657 ?
O9 Rb1 O1 173.6(6) 2_656 2_657 ?
O4 Rb1 O5 100.8(7) 1_465 1_565 ?
O7 Rb1 O5 51.4(6) 2_656 1_565 ?
O14 Rb1 O5 121.0(7) 2_657 1_565 ?
O9 Rb1 O5 99.0(5) 2_656 1_565 ?
O1 Rb1 O5 77.4(6) 2_657 1_565 ?
O4 Rb1 O10 134.2(6) 1_465 . ?
O7 Rb1 O10 86.5(6) 2_656 . ?
O14 Rb1 O10 99.8(7) 2_657 . ?
O9 Rb1 O10 65.8(5) 2_656 . ?
O1 Rb1 O10 111.0(4) 2_657 . ?
O5 Rb1 O10 118.1(6) 1_565 . ?
O4 Rb1 O13 81.9(8) 1_465 2_657 ?
O7 Rb1 O13 141.7(6) 2_656 2_657 ?
O14 Rb1 O13 46.1(7) 2_657 2_657 ?
O9 Rb1 O13 94.6(6) 2_656 2_657 ?
O1 Rb1 O13 88.8(6) 2_657 2_657 ?
O5 Rb1 O13 166.2(7) 1_565 2_657 ?
O10 Rb1 O13 66.1(7) . 2_657 ?
O4 Rb1 O6 134.8(7) 1_465 1_565 ?
O7 Rb1 O6 78.1(6) 2_656 1_565 ?
O14 Rb1 O6 97.1(7) 2_657 1_565 ?
O9 Rb1 O6 120.5(5) 2_656 1_565 ?
O1 Rb1 O6 53.4(6) 2_657 1_565 ?
O5 Rb1 O6 43.7(5) 1_565 1_565 ?
O10 Rb1 O6 90.9(5) . 1_565 ?
O13 Rb1 O6 126.1(7) 2_657 1_565 ?
O4 Rb1 P1 100.7(5) 1_465 2_656 ?
O7 Rb1 P1 24.8(4) 2_656 2_656 ?
O14 Rb1 P1 162.9(6) 2_657 2_656 ?
O9 Rb1 P1 25.2(3) 2_656 2_656 ?
O1 Rb1 P1 149.1(4) 2_657 2_656 ?
O5 Rb1 P1 76.2(4) 1_565 2_656 ?
O10 Rb1 P1 69.0(4) . 2_656 ?
O13 Rb1 P1 116.8(5) 2_657 2_656 ?
O6 Rb1 P1 96.0(4) 1_565 2_656 ?
O4 Rb1 P4 92.5(5) 1_465 2_657 ?
O7 Rb1 P4 149.7(5) 2_656 2_657 ?
O14 Rb1 P4 24.2(6) 2_657 2_657 ?
O9 Rb1 P4 161.0(4) 2_656 2_657 ?
O1 Rb1 P4 22.6(4) 2_657 2_657 ?
O5 Rb1 P4 99.8(4) 1_565 2_657 ?
O10 Rb1 P4 102.9(4) . 2_657 ?
O13 Rb1 P4 66.5(5) 2_657 2_657 ?
O6 Rb1 P4 73.1(4) 1_565 2_657 ?
P1 Rb1 P4 166.62(17) 2_656 2_657 ?
O4 Rb1 P1 114.7(5) 1_465 1_565 ?
O7 Rb1 P1 68.7(4) 2_656 1_565 ?
O14 Rb1 P1 104.6(6) 2_657 1_565 ?
O9 Rb1 P1 116.6(3) 2_656 1_565 ?
O1 Rb1 P1 58.6(4) 2_657 1_565 ?
O5 Rb1 P1 22.8(4) 1_565 1_565 ?
O10 Rb1 P1 110.2(4) . 1_565 ?
O13 Rb1 P1 144.5(6) 2_657 1_565 ?
O6 Rb1 P1 22.7(3) 1_565 1_565 ?
P1 Rb1 P1 91.69(9) 2_656 1_565 ?
P4 Rb1 P1 81.11(16) 2_657 1_565 ?
O14 Rb2 O2 49.4(6) 1_544 1_544 ?
O14 Rb2 O9 121.2(7) 1_544 2_746 ?
O2 Rb2 O9 100.3(6) 1_544 2_746 ?
O14 Rb2 O4 76.1(7) 1_544 2_746 ?
O2 Rb2 O4 83.5(8) 1_544 2_746 ?
O9 Rb2 O4 48.2(5) 2_746 2_746 ?
O14 Rb2 O11 89.3(6) 1_544 . ?
O2 Rb2 O11 138.6(5) 1_544 . ?
O9 Rb2 O11 100.5(5) 2_746 . ?
O4 Rb2 O11 84.4(6) 2_746 . ?
O14 Rb2 O3 111.5(7) 1_544 . ?
O2 Rb2 O3 141.5(7) 1_544 . ?
O9 Rb2 O3 116.9(5) 2_746 . ?
O4 Rb2 O3 128.6(6) 2_746 . ?
O11 Rb2 O3 46.6(5) . . ?
O14 Rb2 O6 101.9(7) 1_544 2_746 ?
O2 Rb2 O6 59.2(5) 1_544 2_746 ?
O9 Rb2 O6 46.9(5) 2_746 2_746 ?
O4 Rb2 O6 68.5(6) 2_746 2_746 ?
O11 Rb2 O6 146.7(5) . 2_746 ?
O3 Rb2 O6 145.1(6) . 2_746 ?
O14 Rb2 O8 47.3(7) 1_544 1_544 ?
O2 Rb2 O8 79.6(6) 1_544 1_544 ?
O9 Rb2 O8 164.2(5) 2_746 1_544 ?
O4 Rb2 O8 116.6(5) 2_746 1_544 ?
O11 Rb2 O8 71.1(6) . 1_544 ?
O3 Rb2 O8 67.5(6) . 1_544 ?
O6 Rb2 O8 138.1(6) 2_746 1_544 ?
O14 Rb2 O12 138.1(7) 1_544 2_746 ?
O2 Rb2 O12 102.7(6) 1_544 2_746 ?
O9 Rb2 O12 90.8(5) 2_746 2_746 ?
O4 Rb2 O12 138.7(5) 2_746 2_746 ?
O11 Rb2 O12 112.4(5) . 2_746 ?
O3 Rb2 O12 68.8(6) . 2_746 ?
O6 Rb2 O12 79.7(6) 2_746 2_746 ?
O8 Rb2 O12 104.7(6) 1_544 2_746 ?
O14 Rb2 P2 112.7(5) 1_544 . ?
O2 Rb2 P2 159.7(4) 1_544 . ?
O9 Rb2 P2 98.1(4) 2_746 . ?
O4 Rb2 P2 102.7(5) 2_746 . ?
O11 Rb2 P2 27.0(4) . . ?
O3 Rb2 P2 26.2(4) . . ?
O6 Rb2 P2 141.1(4) 2_746 . ?
O8 Rb2 P2 80.4(5) 1_544 . ?
O12 Rb2 P2 85.7(4) 2_746 . ?
O14 Rb2 P1 122.8(6) 1_544 2_746 ?
O2 Rb2 P1 83.8(4) 1_544 2_746 ?
O9 Rb2 P1 27.1(3) 2_746 2_746 ?
O4 Rb2 P1 66.5(4) 2_746 2_746 ?
O11 Rb2 P1 126.1(4) . 2_746 ?
O3 Rb2 P1 125.6(4) . 2_746 ?
O6 Rb2 P1 24.7(4) 2_746 2_746 ?
O8 Rb2 P1 162.5(5) 1_544 2_746 ?
O12 Rb2 P1 73.5(4) 2_746 2_746 ?
P2 Rb2 P1 116.46(17) . 2_746 ?
O14 Rb2 O4 132.1(6) 1_544 . ?
O2 Rb2 O4 175.7(7) 1_544 . ?
O9 Rb2 O4 75.5(5) 2_746 . ?
O4 Rb2 O4 93.03(12) 2_746 . ?
O11 Rb2 O4 42.9(5) . . ?
O3 Rb2 O4 42.8(5) . . ?
O6 Rb2 O4 117.3(5) 2_746 . ?
O8 Rb2 O4 104.2(6) 1_544 . ?
O12 Rb2 O4 78.4(6) 2_746 . ?
P2 Rb2 O4 23.9(3) . . ?
P1 Rb2 O4 92.6(3) 2_746 . ?
O11 Rb3 O3 106.0(5) 2_756 . ?
O11 Rb3 O12 124.7(5) 2_756 2_746 ?
O3 Rb3 O12 75.0(6) . 2_746 ?
O11 Rb3 O6 68.3(5) 2_756 2_756 ?
O3 Rb3 O6 156.1(7) . 2_756 ?
O12 Rb3 O6 127.9(7) 2_746 2_756 ?
O11 Rb3 O13 124.9(7) 2_756 1_554 ?
O3 Rb3 O13 64.2(7) . 1_554 ?
O12 Rb3 O13 105.6(7) 2_746 1_554 ?
O6 Rb3 O13 99.2(7) 2_756 1_554 ?
O11 Rb3 O4 46.9(5) 2_756 2_756 ?
O3 Rb3 O4 91.0(6) . 2_756 ?
O12 Rb3 O4 161.5(6) 2_746 2_756 ?
O6 Rb3 O4 67.9(6) 2_756 2_756 ?
O13 Rb3 O4 78.2(7) 1_554 2_756 ?
O11 Rb3 O2 162.4(6) 2_756 2_746 ?
O3 Rb3 O2 59.7(5) . 2_746 ?
O12 Rb3 O2 45.2(6) 2_746 2_746 ?
O6 Rb3 O2 129.0(5) 2_756 2_746 ?
O13 Rb3 O2 60.6(7) 1_554 2_746 ?
O4 Rb3 O2 136.4(5) 2_756 2_746 ?
O11 Rb3 O8 123.9(6) 2_756 2_746 ?
O3 Rb3 O8 129.8(6) . 2_746 ?
O12 Rb3 O8 72.9(5) 2_746 2_746 ?
O6 Rb3 O8 62.4(5) 2_756 2_746 ?
O13 Rb3 O8 88.8(8) 1_554 2_746 ?
O4 Rb3 O8 125.6(6) 2_756 2_746 ?
O2 Rb3 O8 70.3(5) 2_746 2_746 ?
O11 Rb3 O2 109.5(5) 2_756 1_554 ?
O3 Rb3 O2 108.8(6) . 1_554 ?
O12 Rb3 O2 122.6(6) 2_746 1_554 ?
O6 Rb3 O2 55.6(6) 2_756 1_554 ?
O13 Rb3 O2 44.8(6) 1_554 1_554 ?
O4 Rb3 O2 73.1(6) 2_756 1_554 ?
O2 Rb3 O2 86.00(11) 2_746 1_554 ?
O8 Rb3 O2 61.5(5) 2_746 1_554 ?
O11 Rb3 P2 24.4(4) 2_756 2_756 ?
O3 Rb3 P2 104.4(4) . 2_756 ?
O12 Rb3 P2 148.8(4) 2_746 2_756 ?
O6 Rb3 P2 60.4(4) 2_756 2_756 ?
O13 Rb3 P2 101.7(6) 1_554 2_756 ?
O4 Rb3 P2 23.8(3) 2_756 2_756 ?
O2 Rb3 P2 159.4(3) 2_746 2_756 ?
O8 Rb3 P2 122.8(4) 2_746 2_756 ?
O2 Rb3 P2 87.6(4) 1_554 2_756 ?
O11 Rb3 P3 148.7(4) 2_756 2_746 ?
O3 Rb3 P3 73.5(4) . 2_746 ?
O12 Rb3 P3 24.0(4) 2_746 2_746 ?
O6 Rb3 P3 123.9(4) 2_756 2_746 ?
O13 Rb3 P3 83.9(6) 1_554 2_746 ?
O4 Rb3 P3 160.2(4) 2_756 2_746 ?
O2 Rb3 P3 24.1(3) 2_746 2_746 ?
O8 Rb3 P3 61.7(4) 2_746 2_746 ?
O2 Rb3 P3 99.9(4) 1_554 2_746 ?
P2 Rb3 P3 172.5(2) 2_756 2_746 ?
O11 Rb3 P3 116.9(4) 2_756 1_554 ?
O3 Rb3 P3 86.1(5) . 1_554 ?
O12 Rb3 P3 118.3(4) 2_746 1_554 ?
O6 Rb3 P3 77.0(5) 2_756 1_554 ?
O13 Rb3 P3 22.3(5) 1_554 1_554 ?
O4 Rb3 P3 71.8(4) 2_756 1_554 ?
O2 Rb3 P3 74.4(4) 2_746 1_554 ?
O8 Rb3 P3 76.7(4) 2_746 1_554 ?
O2 Rb3 P3 22.8(3) 1_554 1_554 ?
P2 Rb3 P3 92.49(17) 2_756 1_554 ?
P3 Rb3 P3 94.47(11) 2_746 1_554 ?
O6 P1 O5 116.1(15) . . ?
O6 P1 O7 114.9(15) . . ?
O5 P1 O7 107.2(15) . . ?
O6 P1 O9 109.9(12) . . ?
O5 P1 O9 105.9(11) . . ?
O7 P1 O9 101.5(12) . . ?
O6 P1 Rb2 68.0(11) . 2_756 ?
O5 P1 Rb2 164.7(9) . 2_756 ?
O7 P1 Rb2 82.5(11) . 2_756 ?
O9 P1 Rb2 59.8(7) . 2_756 ?
O6 P1 Rb1 146.3(11) . 2_646 ?
O5 P1 Rb1 97.4(10) . 2_646 ?
O7 P1 Rb1 52.9(10) . 2_646 ?
O9 P1 Rb1 53.7(7) . 2_646 ?
Rb2 P1 Rb1 78.76(16) 2_756 2_646 ?
O6 P1 Rb1 70.2(11) . 1_545 ?
O5 P1 Rb1 53.5(9) . 1_545 ?
O7 P1 Rb1 105.2(9) . 1_545 ?
O9 P1 Rb1 150.2(8) . 1_545 ?
Rb2 P1 Rb1 136.6(2) 2_756 1_545 ?
Rb1 P1 Rb1 140.0(2) 2_646 1_545 ?
O6 P1 Rb3 43.0(9) . 2_746 ?
O5 P1 Rb3 93.5(11) . 2_746 ?
O7 P1 Rb3 156.3(12) . 2_746 ?
O9 P1 Rb3 83.4(8) . 2_746 ?
Rb2 P1 Rb3 80.01(16) 2_756 2_746 ?
Rb1 P1 Rb3 137.1(2) 2_646 2_746 ?
Rb1 P1 Rb3 77.55(15) 1_545 2_746 ?
O4 P2 O3 116.3(13) . . ?
O4 P2 O11 113.8(13) . . ?
O3 P2 O11 111.9(13) . . ?
O4 P2 O9 106.7(12) . . ?
O3 P2 O9 104.7(13) . . ?
O11 P2 O9 101.8(11) . . ?
O4 P2 Rb2 87.8(10) . . ?
O3 P2 Rb2 70.0(11) . . ?
O11 P2 Rb2 69.0(8) . . ?
O9 P2 Rb2 165.3(7) . . ?
O4 P2 Rb3 64.4(10) . 2_746 ?
O3 P2 Rb3 157.1(11) . 2_746 ?
O11 P2 Rb3 53.9(8) . 2_746 ?
O9 P2 Rb3 96.4(7) . 2_746 ?
Rb2 P2 Rb3 87.35(19) . 2_746 ?
O4 P2 Rb2 53.6(10) . 2_756 ?
O3 P2 Rb2 116.6(11) . 2_756 ?
O11 P2 Rb2 129.8(8) . 2_756 ?
O9 P2 Rb2 54.2(7) . 2_756 ?
Rb2 P2 Rb2 140.4(2) . 2_756 ?
Rb3 P2 Rb2 83.01(17) 2_746 2_756 ?
O4 P2 Rb3 79.0(10) . . ?
O3 P2 Rb3 42.5(9) . . ?
O11 P2 Rb3 151.5(8) . . ?
O9 P2 Rb3 98.2(8) . . ?
Rb2 P2 Rb3 86.99(17) . . ?
Rb3 P2 Rb3 143.20(18) 2_746 . ?
Rb2 P2 Rb3 78.56(15) 2_756 . ?
O2 P3 O13 117(2) . . ?
O2 P3 O12 111.5(14) . . ?
O13 P3 O12 110.1(15) . . ?
O2 P3 O14 105.8(16) . . ?
O13 P3 O14 103(2) . . ?
O12 P3 O14 108.2(13) . . ?
O2 P3 Rb2 79.2(10) . 2_756 ?
O13 P3 Rb2 77.5(14) . 2_756 ?
O12 P3 Rb2 65.8(9) . 2_756 ?
O14 P3 Rb2 173.6(10) . 2_756 ?
O2 P3 Rb2 52.8(10) . 1_566 ?
O13 P3 Rb2 119.7(11) . 1_566 ?
O12 P3 Rb2 129.4(10) . 1_566 ?
O14 P3 Rb2 53.4(11) . 1_566 ?
Rb2 P3 Rb2 131.9(2) 2_756 1_566 ?
O2 P3 Rb3 70.0(12) . 2_756 ?
O13 P3 Rb3 160.3(11) . 2_756 ?
O12 P3 Rb3 51.9(10) . 2_756 ?
O14 P3 Rb3 91.4(12) . 2_756 ?
Rb2 P3 Rb3 86.59(18) 2_756 2_756 ?
Rb2 P3 Rb3 79.55(17) 1_566 2_756 ?
O2 P3 Rb1 114.9(10) . 2_647 ?
O13 P3 Rb1 57.3(14) . 2_647 ?
O12 P3 Rb1 132.0(9) . 2_647 ?
O14 P3 Rb1 47.4(12) . 2_647 ?
Rb2 P3 Rb1 134.4(2) 2_756 2_647 ?
Rb2 P3 Rb1 74.43(16) 1_566 2_647 ?
Rb3 P3 Rb1 138.8(2) 2_756 2_647 ?
O2 P3 Rb3 64.1(12) . 1_556 ?
O13 P3 Rb3 54.4(14) . 1_556 ?
O12 P3 Rb3 143.4(9) . 1_556 ?
O14 P3 Rb3 107.8(10) . 1_556 ?
Rb2 P3 Rb3 77.91(16) 2_756 1_556 ?
Rb2 P3 Rb3 79.10(15) 1_566 1_556 ?
Rb3 P3 Rb3 133.4(2) 2_756 1_556 ?
Rb1 P3 Rb3 71.78(15) 2_647 1_556 ?
O1 P4 O8 114.1(13) . . ?
O1 P4 O10 111.0(12) . . ?
O8 P4 O10 115.5(14) . . ?
O1 P4 O14 99.5(13) . . ?
O8 P4 O14 107.5(17) . . ?
O10 P4 O14 107.7(13) . . ?
O1 P4 Sr1 54.5(8) . 2_647 ?
O8 P4 Sr1 135.7(11) . 2_647 ?
O10 P4 Sr1 56.5(8) . 2_647 ?
O14 P4 Sr1 116.4(13) . 2_647 ?
O1 P4 Rb2 93.6(8) . 1_566 ?
O8 P4 Rb2 62.0(10) . 1_566 ?
O10 P4 Rb2 152.1(8) . 1_566 ?
O14 P4 Rb2 53.2(11) . 1_566 ?
Sr1 P4 Rb2 146.5(2) 2_647 1_566 ?
O1 P4 Rb1 51.8(9) . 2_647 ?
O8 P4 Rb1 134.8(10) . 2_647 ?
O10 P4 Rb1 109.2(9) . 2_647 ?
O14 P4 Rb1 49.7(11) . 2_647 ?
Sr1 P4 Rb1 76.17(16) 2_647 2_647 ?
Rb2 P4 Rb1 75.36(14) 1_566 2_647 ?
O1 P4 Rb1 111.1(9) . . ?
O8 P4 Rb1 69.2(10) . . ?
O10 P4 Rb1 52.6(9) . . ?
O14 P4 Rb1 147.8(9) . . ?
Sr1 P4 Rb1 76.44(15) 2_647 . ?
Rb2 P4 Rb1 130.9(2) 1_566 . ?
Rb1 P4 Rb1 152.6(2) 2_647 . ?
P4 O1 Bi1 116.7(11) . 2_657 ?
P4 O1 Sr1 98.1(10) . 2_647 ?
Bi1 O1 Sr1 109.1(8) 2_657 2_647 ?
P4 O1 Rb1 105.6(11) . 2_647 ?
Bi1 O1 Rb1 124.5(8) 2_657 2_647 ?
Sr1 O1 Rb1 98.2(6) 2_647 2_647 ?
P3 O2 Sr1 159.1(14) . 2_747 ?
P3 O2 Rb2 103.7(11) . 1_566 ?
Sr1 O2 Rb2 96.5(8) 2_747 1_566 ?
P3 O2 Rb3 86.0(11) . 2_756 ?
Sr1 O2 Rb3 87.7(9) 2_747 2_756 ?
Rb2 O2 Rb3 92.9(8) 1_566 2_756 ?
P3 O2 Rb3 93.1(14) . 1_556 ?
Sr1 O2 Rb3 90.4(7) 2_747 1_556 ?
Rb2 O2 Rb3 95.1(6) 1_566 1_556 ?
Rb3 O2 Rb3 171.9(8) 2_756 1_556 ?
P3 O2 Rb2 76.7(10) . 2_756 ?
Sr1 O2 Rb2 83.3(6) 2_747 2_756 ?
Rb2 O2 Rb2 177.7(10) 1_566 2_756 ?
Rb3 O2 Rb2 89.4(5) 2_756 2_756 ?
Rb3 O2 Rb2 82.6(7) 1_556 2_756 ?
P2 O3 Sr1 144.2(13) . 1_544 ?
P2 O3 Rb3 117.8(11) . . ?
Sr1 O3 Rb3 97.2(7) 1_544 . ?
P2 O3 Rb2 83.8(12) . . ?
Sr1 O3 Rb2 92.0(7) 1_544 . ?
Rb3 O3 Rb2 109.0(6) . . ?
P2 O4 Rb1 155.1(14) . 1_645 ?
P2 O4 Rb2 103.8(12) . 2_756 ?
Rb1 O4 Rb2 99.0(6) 1_645 2_756 ?
P2 O4 Rb3 91.8(11) . 2_746 ?
Rb1 O4 Rb3 94.0(7) 1_645 2_746 ?
Rb2 O4 Rb3 99.9(7) 2_756 2_746 ?
P2 O4 Rb2 68.4(9) . . ?
Rb1 O4 Rb2 87.5(6) 1_645 . ?
Rb2 O4 Rb2 168.5(9) 2_756 . ?
Rb3 O4 Rb2 88.9(6) 2_746 . ?
P1 O5 Bi1 128.2(12) . 2_646 ?
P1 O5 Rb1 103.7(10) . 1_545 ?
Bi1 O5 Rb1 112.3(9) 2_646 1_545 ?
P1 O6 Sr1 143.7(14) . 1_545 ?
P1 O6 Rb3 118.1(12) . 2_746 ?
Sr1 O6 Rb3 98.1(7) 1_545 2_746 ?
P1 O6 Rb2 87.3(11) . 2_756 ?
Sr1 O6 Rb2 88.3(7) 1_545 2_756 ?
Rb3 O6 Rb2 99.3(7) 2_746 2_756 ?
P1 O6 Rb1 87.1(11) . 1_545 ?
Sr1 O6 Rb1 89.2(6) 1_545 1_545 ?
Rb3 O6 Rb1 93.9(7) 2_746 1_545 ?
Rb2 O6 Rb1 166.7(8) 2_756 1_545 ?
P1 O7 Bi1 138.3(15) . . ?
P1 O7 Rb1 102.2(11) . 2_646 ?
Bi1 O7 Rb1 119.4(9) . 2_646 ?
P1 O7 Rb2 72.1(10) . 2_756 ?
Bi1 O7 Rb2 106.4(10) . 2_756 ?
Rb1 O7 Rb2 85.9(6) 2_646 2_756 ?
P4 O8 Sr1 166.5(17) . . ?
P4 O8 Rb2 93.7(11) . 1_566 ?
Sr1 O8 Rb2 91.0(8) . 1_566 ?
P4 O8 Rb3 103.0(12) . 2_756 ?
Sr1 O8 Rb3 89.8(7) . 2_756 ?
Rb2 O8 Rb3 88.5(7) 1_566 2_756 ?
P1 O9 P2 130.4(14) . . ?
P1 O9 Rb1 101.0(9) . 2_646 ?
P2 O9 Rb1 123.9(9) . 2_646 ?
P1 O9 Rb2 93.1(8) . 2_756 ?
P2 O9 Rb2 99.8(8) . 2_756 ?
Rb1 O9 Rb2 97.7(6) 2_646 2_756 ?
P4 O10 Bi1 128.6(11) . . ?
P4 O10 Sr1 95.7(10) . 2_647 ?
Bi1 O10 Sr1 103.4(7) . 2_647 ?
P4 O10 Rb1 105.3(10) . . ?
Bi1 O10 Rb1 118.8(7) . . ?
Sr1 O10 Rb1 96.8(5) 2_647 . ?
P2 O11 Bi1 118.4(11) . 2_646 ?
P2 O11 Rb3 101.7(9) . 2_746 ?
Bi1 O11 Rb3 122.6(7) 2_646 2_746 ?
P2 O11 Rb2 84.0(8) . . ?
Bi1 O11 Rb2 118.9(7) 2_646 . ?
Rb3 O11 Rb2 103.5(6) 2_746 . ?
P3 O12 Bi1 115.6(13) . . ?
P3 O12 Rb3 104.2(11) . 2_756 ?
Bi1 O12 Rb3 123.1(9) . 2_756 ?
P3 O12 Rb2 88.8(9) . 2_756 ?
Bi1 O12 Rb2 114.0(8) . 2_756 ?
Rb3 O12 Rb2 105.5(7) 2_756 2_756 ?
P3 O13 Sr1 154.1(17) . 1_545 ?
P3 O13 Rb3 103.3(17) . 1_556 ?
Sr1 O13 Rb3 92.6(9) 1_545 1_556 ?
P3 O13 Rb1 99.8(15) . 2_647 ?
Sr1 O13 Rb1 101.1(11) 1_545 2_647 ?
Rb3 O13 Rb1 87.9(7) 1_556 2_647 ?
P3 O13 Rb2 78.1(14) . 2_756 ?
Sr1 O13 Rb2 82.5(9) 1_545 2_756 ?
Rb3 O13 Rb2 87.0(10) 1_556 2_756 ?
Rb1 O13 Rb2 173.9(12) 2_647 2_756 ?
P4 O14 P3 134.9(16) . . ?
P4 O14 Rb1 106.0(13) . 2_647 ?
P3 O14 Rb1 108.9(16) . 2_647 ?
P4 O14 Rb2 101.3(14) . 1_566 ?
P3 O14 Rb2 100.6(13) . 1_566 ?
Rb1 O14 Rb2 98.8(7) 2_647 1_566 ?

_refine_diff_density_max         7.526
_refine_diff_density_min         -1.368
_refine_diff_density_rms         0.499



