#------------------------------------------------------------------------------
#$Date: 2020-05-14 03:23:58 +0300 (Thu, 14 May 2020) $
#$Revision: 252036 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/05/7240511.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7240511
loop_
_publ_author_name
'Wang, Yang'
'Luo, Mengjia'
'Zhao, Pei'
'Che, Xiangli'
'Cao, Yunzhen'
'Huang, Fuqiang'
_publ_section_title
;
 Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a
 moderate SHG response
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00084A
_journal_year                    2020
_chemical_formula_sum            'O5 Pb1.5 Sb5 Se8 Sr4'
_chemical_formula_weight         1981.70
_space_group_crystal_system      monoclinic
_space_group_IT_number           8
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-01-19 deposited with the CCDC.	2020-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.068(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   18.8403(15)
_cell_length_b                   4.2335(3)
_cell_length_c                   15.3364(12)
_cell_measurement_reflns_used    1604
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      5
_cell_volume                     1218.46(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0565
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7205
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.445
_exptl_absorpt_coefficient_mu    36.406
_exptl_absorpt_correction_T_max  0.52
_exptl_absorpt_correction_T_min  0.38
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.072
_exptl_crystal_size_mid          0.023
_exptl_crystal_size_min          0.018
_exptl_transmission_factor_max   0.38
_exptl_transmission_factor_min   0.52
_refine_diff_density_max         1.322
_refine_diff_density_min         -2.220
_refine_diff_density_rms         0.592
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.503(11)
_refine_ls_extinction_coef       0.00080(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     148
_refine_ls_number_reflns         2311
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0572
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0326P)²+26.6582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0978
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                1801
_reflns_number_total             2311
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00084a1.cif
_cod_data_source_block           12251_b
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_sg_symbol_H-M      'C m'
_cod_original_formula_sum        'O5 Pb1.50 Sb5 Se8 Sr4'
_cod_database_code               7240511
_shelx_shelxl_version_number     2014/7
_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, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
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
Pb1 Pb 0.6398(2) 2.0000 0.5540(3) 0.0337(14) Uani 0.706(3) 2 d S T P . .
Sr1 Sr 1.1790(3) 0.0000 1.0670(4) 0.0125(17) Uani 1 2 d S T P . .
O4 O 0.955(2) 1.0000 0.899(2) 0.0264(16) Uani 1 2 d S TU P . .
Sb3 Sb 0.4482(2) 1.5000 0.4499(3) 0.0088(10) Uani 1 2 d S T P . .
Pb2 Pb 0.0673(2) 0.5000 0.2640(3) 0.0315(12) Uani 0.794(3) 2 d S T P . .
O1 O 1.138(3) 0.5000 0.988(3) 0.037(7) Uani 1 2 d S T P . .
Sb4 Sb 0.2571(4) 1.0000 0.3580(5) 0.0121(4) Uani 1 2 d S T P . .
Sr4 Sr 0.8365(3) 1.5000 0.6498(5) 0.0186(18) Uani 1 2 d S T P . .
O2 O 1.138(2) 1.0000 0.893(4) 0.0279(14) Uani 0.58(8) 2 d S T P . .
Sb1 Sb 1.1566(3) 0.5000 0.8636(4) 0.0279(14) Uani 1 2 d S TU P . .
Sb2 Sb 0.8564(3) 1.0000 0.8493(4) 0.0268(14) Uani 1 2 d S TU P . .
Sb5 Sb -0.1248(2) 0.0000 0.1604(3) 0.0186(13) Uani 1 2 d S T P . .
Sr3 Sr 1.0144(4) 1.0000 0.7497(5) 0.0153(16) Uani 1 2 d S T P . .
Se3 Se 0.2970(5) 1.5000 0.4950(5) 0.023(2) Uani 1 2 d S T P . .
Sr2 Sr 1.0016(4) 0.5000 0.9656(4) 0.0108(16) Uani 1 2 d S T P . .
Se2 Se 0.4910(4) 2.0000 0.5844(5) 0.0206(19) Uani 1 2 d S T P . .
Se4 Se 0.4133(5) 1.0000 0.3091(6) 0.0228(18) Uani 1 2 d S T P . .
Se1 Se 0.6718(4) 1.5000 0.6742(5) 0.024(2) Uani 1 2 d S T P . .
Se8 Se -0.1585(4) -0.5000 0.0373(5) 0.030(2) Uani 1 2 d S T P . .
Se7 Se 0.0236(4) 0.0000 0.1262(5) 0.0202(19) Uani 1 2 d S T P . .
Se5 Se 0.1013(5) 1.0000 0.3971(6) 0.0249(19) Uani 1 2 d S T P . .
Se6 Se 0.2180(5) 0.5000 0.2134(5) 0.0209(19) Uani 1 2 d S T P . .
O3 O 1.059(2) 0.5000 0.823(2) 0.018(4) Uani 1 2 d S TU P . .
O6 O 0.874(2) 1.0000 0.729(3) 0.0268(16) Uani 1 2 d S TU P . .
O5 O 0.864(3) 0.5000 0.821(5) 0.0268(14) Uani 0.42(8) 2 d S T P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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
Se1 Pb1 Se1 96.5(3) . 1_565 ?
Se1 Pb1 Se2 92.8(2) . . ?
Se1 Pb1 Se2 92.8(2) 1_565 . ?
Se1 Pb1 Se3 92.0(2) . 3 ?
Se1 Pb1 Se3 92.0(2) 1_565 3 ?
Se2 Pb1 Se3 172.8(3) . 3 ?
Se1 Pb1 Se5 90.92(17) . 3 ?
Se1 Pb1 Se5 172.5(2) 1_565 3 ?
Se2 Pb1 Se5 87.9(2) . 3 ?
Se3 Pb1 Se5 86.7(2) 3 3 ?
Se1 Pb1 Se5 172.5(2) . 3_565 ?
Se1 Pb1 Se5 90.92(17) 1_565 3_565 ?
Se2 Pb1 Se5 87.9(2) . 3_565 ?
Se3 Pb1 Se5 86.7(2) 3 3_565 ?
Se5 Pb1 Se5 81.6(2) 3 3_565 ?
O1 Sr1 O1 114(2) . 1_545 ?
O1 Sr1 O2 58.7(10) . 1_545 ?
O1 Sr1 O2 58.7(10) 1_545 1_545 ?
O1 Sr1 Se6 79.5(10) . 1_656 ?
O1 Sr1 Se6 162.6(11) 1_545 1_656 ?
O2 Sr1 Se6 137.35(13) 1_545 1_656 ?
O1 Sr1 Se6 162.6(11) . 1_646 ?
O1 Sr1 Se6 79.5(10) 1_545 1_646 ?
O2 Sr1 Se6 137.35(13) 1_545 1_646 ?
Se6 Sr1 Se6 85.2(2) 1_656 1_646 ?
O1 Sr1 Se8 100.9(12) . 3_656 ?
O1 Sr1 Se8 100.9(12) 1_545 3_656 ?
O2 Sr1 Se8 93.2(9) 1_545 3_656 ?
Se6 Sr1 Se8 86.2(3) 1_656 3_656 ?
Se6 Sr1 Se8 86.2(3) 1_646 3_656 ?
O1 Sr1 Se7 83.6(12) . 1_656 ?
O1 Sr1 Se7 83.6(12) 1_545 1_656 ?
O2 Sr1 Se7 95.2(9) 1_545 1_656 ?
Se6 Sr1 Se7 87.6(2) 1_656 1_656 ?
Se6 Sr1 Se7 87.6(2) 1_646 1_656 ?
Se8 Sr1 Se7 171.6(3) 3_656 1_656 ?
O1 Sr1 Sb1 93.9(10) . 1_545 ?
O1 Sr1 Sb1 28.8(11) 1_545 1_545 ?
O2 Sr1 Sb1 35.2(2) 1_545 1_545 ?
Se6 Sr1 Sb1 168.1(2) 1_656 1_545 ?
Se6 Sr1 Sb1 102.52(13) 1_646 1_545 ?
Se8 Sr1 Sb1 85.3(2) 3_656 1_545 ?
Se7 Sr1 Sb1 101.6(2) 1_656 1_545 ?
O1 Sr1 Sb1 28.8(11) . . ?
O1 Sr1 Sb1 93.9(10) 1_545 . ?
O2 Sr1 Sb1 35.2(2) 1_545 . ?
Se6 Sr1 Sb1 102.52(13) 1_656 . ?
Se6 Sr1 Sb1 168.1(2) 1_646 . ?
Se8 Sr1 Sb1 85.3(2) 3_656 . ?
Se7 Sr1 Sb1 101.6(2) 1_656 . ?
Sb1 Sr1 Sb1 68.47(15) 1_545 . ?
O1 Sr1 Sr2 92.8(11) . 1_545 ?
O1 Sr1 Sr2 36.0(12) 1_545 1_545 ?
O2 Sr1 Sr2 58.6(7) 1_545 1_545 ?
Se6 Sr1 Sr2 138.3(3) 1_656 1_545 ?
Se6 Sr1 Sr2 93.13(18) 1_646 1_545 ?
Se8 Sr1 Sr2 135.38(18) 3_656 1_545 ?
Se7 Sr1 Sr2 50.70(17) 1_656 1_545 ?
Sb1 Sr1 Sr2 51.23(15) 1_545 1_545 ?
Sb1 Sr1 Sr2 87.08(17) . 1_545 ?
O1 Sr1 Sr2 36.0(12) . . ?
O1 Sr1 Sr2 92.8(11) 1_545 . ?
O2 Sr1 Sr2 58.6(7) 1_545 . ?
Se6 Sr1 Sr2 93.13(18) 1_656 . ?
Se6 Sr1 Sr2 138.3(3) 1_646 . ?
Se8 Sr1 Sr2 135.38(18) 3_656 . ?
Se7 Sr1 Sr2 50.70(17) 1_656 . ?
Sb1 Sr1 Sr2 87.08(17) 1_545 . ?
Sb1 Sr1 Sr2 51.23(14) . . ?
Sr2 Sr1 Sr2 61.48(14) 1_545 . ?
O1 Sr1 Sr1 147.1(10) . 1_545 ?
O1 Sr1 Sr1 32.9(10) 1_545 1_545 ?
O2 Sr1 Sr1 90.001(7) 1_545 1_545 ?
Se6 Sr1 Sr1 132.61(12) 1_656 1_545 ?
Se6 Sr1 Sr1 47.39(12) 1_646 1_545 ?
Se8 Sr1 Sr1 90.000(1) 3_656 1_545 ?
Se7 Sr1 Sr1 90.000(2) 1_656 1_545 ?
Sb1 Sr1 Sr1 55.76(7) 1_545 1_545 ?
Sb1 Sr1 Sr1 124.24(7) . 1_545 ?
Sr2 Sr1 Sr1 59.26(7) 1_545 1_545 ?
Sr2 Sr1 Sr1 120.74(7) . 1_545 ?
Sb2 O4 Sr2 116.7(10) . . ?
Sb2 O4 Sr2 116.7(10) . 1_565 ?
Sr2 O4 Sr2 117.4(15) . 1_565 ?
Sb2 O4 Sr3 97.3(14) . . ?
Sr2 O4 Sr3 101.6(11) . . ?
Sr2 O4 Sr3 101.6(11) 1_565 . ?
Se3 Sb3 Se2 92.5(2) . . ?
Se3 Sb3 Se2 92.5(2) . 1_545 ?
Se2 Sb3 Se2 89.2(2) . 1_545 ?
Se3 Sb3 Se4 90.8(2) . . ?
Se2 Sb3 Se4 176.7(3) . . ?
Se2 Sb3 Se4 91.43(15) 1_545 . ?
Se3 Sb3 Se4 90.8(2) . 1_565 ?
Se2 Sb3 Se4 91.43(15) . 1_565 ?
Se2 Sb3 Se4 176.7(3) 1_545 1_565 ?
Se4 Sb3 Se4 87.8(3) . 1_565 ?
Se3 Sb3 Se5 178.1(3) . 3 ?
Se2 Sb3 Se5 88.9(2) . 3 ?
Se2 Sb3 Se5 88.9(2) 1_545 3 ?
Se4 Sb3 Se5 87.9(2) . 3 ?
Se4 Sb3 Se5 87.9(2) 1_565 3 ?
Se5 Pb2 Se5 90.9(3) . 1_545 ?
Se5 Pb2 Se6 91.5(2) . . ?
Se5 Pb2 Se6 91.5(2) 1_545 . ?
Se5 Pb2 Se4 89.8(2) . 3_445 ?
Se5 Pb2 Se4 89.8(2) 1_545 3_445 ?
Se6 Pb2 Se4 178.2(3) . 3_445 ?
Se5 Pb2 Se7 90.58(15) . 1_565 ?
Se5 Pb2 Se7 176.7(3) 1_545 1_565 ?
Se6 Pb2 Se7 91.4(2) . 1_565 ?
Se4 Pb2 Se7 87.3(2) 3_445 1_565 ?
Se5 Pb2 Se7 176.7(3) . . ?
Se5 Pb2 Se7 90.58(15) 1_545 . ?
Se6 Pb2 Se7 91.4(2) . . ?
Se4 Pb2 Se7 87.3(2) 3_445 . ?
Se7 Pb2 Se7 87.8(2) 1_565 . ?
Sb1 O1 Sr1 113.1(13) . . ?
Sb1 O1 Sr1 113.1(13) . 1_565 ?
Sr1 O1 Sr1 114(2) . 1_565 ?
Sb1 O1 Sr2 97(2) . . ?
Sr1 O1 Sr2 108.8(13) . . ?
Sr1 O1 Sr2 108.8(13) 1_565 . ?
Se3 Sb4 Se3 88.6(3) . 1_545 ?
Se3 Sb4 Se5 92.7(3) . . ?
Se3 Sb4 Se5 92.7(3) 1_545 . ?
O6 Sr4 O6 115.1(18) . 1_565 ?
O6 Sr4 O5 59.7(10) . 1_565 ?
O6 Sr4 O5 59.7(10) 1_565 1_565 ?
O6 Sr4 Se1 100.3(10) . . ?
O6 Sr4 Se1 100.3(10) 1_565 . ?
O5 Sr4 Se1 89.6(12) 1_565 . ?
O6 Sr4 Se2 85.8(10) . 3_545 ?
O6 Sr4 Se2 85.8(10) 1_565 3_545 ?
O5 Sr4 Se2 102.1(13) 1_565 3_545 ?
Se1 Sr4 Se2 168.4(3) . 3_545 ?
O6 Sr4 Se3 80.7(9) . 3_545 ?
O6 Sr4 Se3 161.4(10) 1_565 3_545 ?
O5 Sr4 Se3 138.5(2) 1_565 3_545 ?
Se1 Sr4 Se3 85.5(3) . 3_545 ?
Se2 Sr4 Se3 85.7(2) 3_545 3_545 ?
O6 Sr4 Se3 161.4(10) . 3 ?
O6 Sr4 Se3 80.7(9) 1_565 3 ?
O5 Sr4 Se3 138.5(2) 1_565 3 ?
Se1 Sr4 Se3 85.5(3) . 3 ?
Se2 Sr4 Se3 85.7(2) 3_545 3 ?
Se3 Sr4 Se3 82.3(3) 3_545 3 ?
O6 Sr4 Sb2 94.6(10) . 1_565 ?
O6 Sr4 Sb2 28.0(10) 1_565 1_565 ?
O5 Sr4 Sb2 35.00(16) 1_565 1_565 ?
Se1 Sr4 Sb2 86.0(2) . 1_565 ?
Se2 Sr4 Sb2 103.5(2) 3_545 1_565 ?
Se3 Sr4 Sb2 169.4(2) 3_545 1_565 ?
Se3 Sr4 Sb2 103.46(13) 3 1_565 ?
O6 Sr4 Sb2 28.0(10) . . ?
O6 Sr4 Sb2 94.6(10) 1_565 . ?
O5 Sr4 Sb2 35.00(16) 1_565 . ?
Se1 Sr4 Sb2 86.0(2) . . ?
Se2 Sr4 Sb2 103.5(2) 3_545 . ?
Se3 Sr4 Sb2 103.46(13) 3_545 . ?
Se3 Sr4 Sb2 169.4(2) 3 . ?
Sb2 Sr4 Sb2 69.52(16) 1_565 . ?
O6 Sr4 Sr3 37.5(10) . . ?
O6 Sr4 Sr3 94.0(9) 1_565 . ?
O5 Sr4 Sr3 63.1(10) 1_565 . ?
Se1 Sr4 Sr3 136.67(19) . . ?
Se2 Sr4 Sr3 51.67(17) 3_545 . ?
Se3 Sr4 Sr3 93.65(17) 3_545 . ?
Se3 Sr4 Sr3 137.4(2) 3 . ?
Sb2 Sr4 Sr3 88.10(19) 1_565 . ?
Sb2 Sr4 Sr3 51.97(15) . . ?
O6 Sr4 Sr3 94.0(9) . 1_565 ?
O6 Sr4 Sr3 37.5(9) 1_565 1_565 ?
O5 Sr4 Sr3 63.1(10) 1_565 1_565 ?
Se1 Sr4 Sr3 136.68(19) . 1_565 ?
Se2 Sr4 Sr3 51.67(17) 3_545 1_565 ?
Se3 Sr4 Sr3 137.4(2) 3_545 1_565 ?
Se3 Sr4 Sr3 93.65(17) 3 1_565 ?
Sb2 Sr4 Sr3 51.98(15) 1_565 1_565 ?
Sb2 Sr4 Sr3 88.10(19) . 1_565 ?
Sr3 Sr4 Sr3 61.47(14) . 1_565 ?
O6 Sr4 Sr4 147.6(9) . 1_565 ?
O6 Sr4 Sr4 32.4(9) 1_565 1_565 ?
O5 Sr4 Sr4 90.001(6) 1_565 1_565 ?
Se1 Sr4 Sr4 90.000(1) . 1_565 ?
Se2 Sr4 Sr4 90.000(1) 3_545 1_565 ?
Se3 Sr4 Sr4 131.13(13) 3_545 1_565 ?
Se3 Sr4 Sr4 48.87(13) 3 1_565 ?
Sb2 Sr4 Sr4 55.24(8) 1_565 1_565 ?
Sb2 Sr4 Sr4 124.76(8) . 1_565 ?
Sr3 Sr4 Sr4 120.74(7) . 1_565 ?
Sr3 Sr4 Sr4 59.26(7) 1_565 1_565 ?
Sb1 O2 Sb1 148(3) . 1_565 ?
Sb1 O2 Sr1 99.4(14) . 1_565 ?
Sb1 O2 Sr1 99.4(14) 1_565 1_565 ?
Sb1 O2 Sr3 88.9(14) . . ?
Sb1 O2 Sr3 88.9(14) 1_565 . ?
Sr1 O2 Sr3 147.3(18) 1_565 . ?
O3 Sb1 O1 94.1(19) . . ?
O3 Sb1 O2 84.0(12) . . ?
O1 Sb1 O2 75.9(14) . . ?
O3 Sb1 O2 84.0(12) . 1_545 ?
O1 Sb1 O2 75.9(14) . 1_545 ?
O2 Sb1 O2 148(3) . 1_545 ?
O3 Sb1 Sr2 46.1(10) . . ?
O1 Sb1 Sr2 48.0(16) . . ?
O2 Sb1 Sr2 75.3(11) . . ?
O2 Sb1 Sr2 75.3(11) 1_545 . ?
O3 Sb1 Sr3 37.5(4) . 1_545 ?
O1 Sb1 Sr3 106.0(13) . 1_545 ?
O2 Sb1 Sr3 121.3(12) . 1_545 ?
O2 Sb1 Sr3 54.9(13) 1_545 1_545 ?
Sr2 Sb1 Sr3 66.92(14) . 1_545 ?
O3 Sb1 Sr3 37.5(4) . . ?
O1 Sb1 Sr3 106.0(13) . . ?
O2 Sb1 Sr3 54.9(13) . . ?
O2 Sb1 Sr3 121.3(12) 1_545 . ?
Sr2 Sb1 Sr3 66.92(14) . . ?
Sr3 Sb1 Sr3 69.23(16) 1_545 . ?
O3 Sb1 Sr1 107.9(8) . . ?
O1 Sb1 Sr1 38.0(7) . . ?
O2 Sb1 Sr1 112.4(14) . . ?
O2 Sb1 Sr1 45.4(14) 1_545 . ?
Sr2 Sb1 Sr1 70.09(19) . . ?
Sr3 Sb1 Sr1 95.28(15) 1_545 . ?
Sr3 Sb1 Sr1 137.0(2) . . ?
O3 Sb1 Sr1 107.9(8) . 1_565 ?
O1 Sb1 Sr1 38.0(7) . 1_565 ?
O2 Sb1 Sr1 45.4(14) . 1_565 ?
O2 Sb1 Sr1 112.4(14) 1_545 1_565 ?
Sr2 Sb1 Sr1 70.09(19) . 1_565 ?
Sr3 Sb1 Sr1 137.0(2) 1_545 1_565 ?
Sr3 Sb1 Sr1 95.28(15) . 1_565 ?
Sr1 Sb1 Sr1 68.47(15) . 1_565 ?
O6 Sb2 O4 97.8(17) . . ?
O6 Sb2 O5 77.7(18) . . ?
O4 Sb2 O5 89.8(16) . . ?
O6 Sb2 O5 77.7(18) . 1_565 ?
O4 Sb2 O5 89.8(16) . 1_565 ?
O5 Sb2 O5 155(4) . 1_565 ?
O6 Sb2 Sr3 49.0(13) . . ?
O4 Sb2 Sr3 48.8(11) . . ?
O5 Sb2 Sr3 80.6(16) . . ?
O5 Sb2 Sr3 80.6(16) 1_565 . ?
O6 Sb2 Sr4 38.2(5) . . ?
O4 Sb2 Sr4 110.1(9) . . ?
O5 Sb2 Sr4 113.4(18) . . ?
O5 Sb2 Sr4 44.2(18) 1_565 . ?
Sr3 Sb2 Sr4 70.41(19) . . ?
O6 Sb2 Sr4 38.2(5) . 1_545 ?
O4 Sb2 Sr4 110.1(9) . 1_545 ?
O5 Sb2 Sr4 44.2(18) . 1_545 ?
O5 Sb2 Sr4 113.4(18) 1_565 1_545 ?
Sr3 Sb2 Sr4 70.41(19) . 1_545 ?
Sr4 Sb2 Sr4 69.52(16) . 1_545 ?
O6 Sb2 Sr2 106.2(11) . . ?
O4 Sb2 Sr2 35.8(3) . . ?
O5 Sb2 Sr2 59.2(16) . . ?
O5 Sb2 Sr2 125.5(16) 1_565 . ?
Sr3 Sb2 Sr2 66.04(14) . . ?
Sr4 Sb2 Sr2 136.4(2) . . ?
Sr4 Sb2 Sr2 94.93(14) 1_545 . ?
O6 Sb2 Sr2 106.2(11) . 1_565 ?
O4 Sb2 Sr2 35.8(3) . 1_565 ?
O5 Sb2 Sr2 125.5(16) . 1_565 ?
O5 Sb2 Sr2 59.2(16) 1_565 1_565 ?
Sr3 Sb2 Sr2 66.04(14) . 1_565 ?
Sr4 Sb2 Sr2 94.93(15) . 1_565 ?
Sr4 Sb2 Sr2 136.4(2) 1_545 1_565 ?
Sr2 Sb2 Sr2 68.14(15) . 1_565 ?
Se8 Sb5 Se8 95.0(3) 1_565 . ?
Se8 Sb5 Se7 92.4(2) 1_565 . ?
Se8 Sb5 Se7 92.4(2) . . ?
O3 Sr3 O3 115.4(14) 1_565 . ?
O3 Sr3 O4 76.1(8) 1_565 . ?
O3 Sr3 O4 76.1(8) . . ?
O3 Sr3 O6 110.2(9) 1_565 . ?
O3 Sr3 O6 110.2(10) . . ?
O4 Sr3 O6 67.0(13) . . ?
O3 Sr3 O2 58.4(7) 1_565 . ?
O3 Sr3 O2 58.4(7) . . ?
O4 Sr3 O2 74.2(13) . . ?
O6 Sr3 O2 141.2(13) . . ?
O3 Sr3 Se1 83.3(9) 1_565 3_545 ?
O3 Sr3 Se1 83.3(9) . 3_545 ?
O4 Sr3 Se1 140.6(9) . 3_545 ?
O6 Sr3 Se1 152.4(11) . 3_545 ?
O2 Sr3 Se1 66.4(9) . 3_545 ?
O3 Sr3 Se2 154.5(8) 1_565 3_535 ?
O3 Sr3 Se2 79.6(7) . 3_535 ?
O4 Sr3 Se2 129.0(5) . 3_535 ?
O6 Sr3 Se2 80.9(8) . 3_535 ?
O2 Sr3 Se2 126.4(6) . 3_535 ?
Se1 Sr3 Se2 78.0(2) 3_545 3_535 ?
O3 Sr3 Se2 79.6(7) 1_565 3_545 ?
O3 Sr3 Se2 154.5(8) . 3_545 ?
O4 Sr3 Se2 129.0(5) . 3_545 ?
O6 Sr3 Se2 80.9(8) . 3_545 ?
O2 Sr3 Se2 126.4(6) . 3_545 ?
Se1 Sr3 Se2 78.0(2) 3_545 3_545 ?
Se2 Sr3 Se2 79.7(2) 3_535 3_545 ?
O3 Sr3 Sb2 93.8(9) 1_565 . ?
O3 Sr3 Sb2 93.8(9) . . ?
O4 Sr3 Sb2 34.0(9) . . ?
O6 Sr3 Sb2 33.0(10) . . ?
O2 Sr3 Sb2 108.2(10) . . ?
Se1 Sr3 Sb2 174.5(3) 3_545 . ?
Se2 Sr3 Sb2 106.1(2) 3_535 . ?
Se2 Sr3 Sb2 106.1(2) 3_545 . ?
O3 Sr3 Sb1 94.2(7) 1_565 . ?
O3 Sr3 Sb1 27.5(8) . . ?
O4 Sr3 Sb1 86.2(7) . . ?
O6 Sr3 Sb1 136.8(6) . . ?
O2 Sr3 Sb1 36.2(3) . . ?
Se1 Sr3 Sb1 61.96(16) 3_545 . ?
Se2 Sr3 Sb1 92.15(16) 3_535 . ?
Se2 Sr3 Sb1 140.0(3) 3_545 . ?
Sb2 Sr3 Sb1 113.8(2) . . ?
O3 Sr3 Sb1 27.5(8) 1_565 1_565 ?
O3 Sr3 Sb1 94.2(8) . 1_565 ?
O4 Sr3 Sb1 86.2(7) . 1_565 ?
O6 Sr3 Sb1 136.8(6) . 1_565 ?
O2 Sr3 Sb1 36.2(3) . 1_565 ?
Se1 Sr3 Sb1 61.96(16) 3_545 1_565 ?
Se2 Sr3 Sb1 140.0(3) 3_535 1_565 ?
Se2 Sr3 Sb1 92.15(16) 3_545 1_565 ?
Sb2 Sr3 Sb1 113.8(2) . 1_565 ?
Sb1 Sr3 Sb1 69.23(16) . 1_565 ?
O3 Sr3 Sr2 96.9(7) 1_565 . ?
O3 Sr3 Sr2 38.3(8) . . ?
O4 Sr3 Sr2 37.8(4) . . ?
O6 Sr3 Sr2 88.1(9) . . ?
O2 Sr3 Sr2 59.8(7) . . ?
Se1 Sr3 Sr2 114.83(16) 3_545 . ?
Se2 Sr3 Sr2 106.61(12) 3_535 . ?
Se2 Sr3 Sr2 166.37(18) 3_545 . ?
Sb2 Sr3 Sr2 60.81(12) . . ?
Sb1 Sr3 Sr2 53.00(14) . . ?
Sb1 Sr3 Sr2 90.36(14) 1_565 . ?
Sb3 Se3 Sb4 91.3(3) . 1_565 ?
Sb3 Se3 Sb4 91.3(3) . . ?
Sb4 Se3 Sb4 88.6(3) 1_565 . ?
Sb3 Se3 Pb1 176.9(3) . 3_445 ?
Sb4 Se3 Pb1 91.0(3) 1_565 3_445 ?
Sb4 Se3 Pb1 91.0(3) . 3_445 ?
Sb3 Se3 Sr4 90.4(2) . 3_455 ?
Sb4 Se3 Sr4 94.53(13) 1_565 3_455 ?
Sb4 Se3 Sr4 176.4(3) . 3_455 ?
Pb1 Se3 Sr4 87.2(2) 3_445 3_455 ?
Sb3 Se3 Sr4 90.4(2) . 3_445 ?
Sb4 Se3 Sr4 176.4(3) 1_565 3_445 ?
Sb4 Se3 Sr4 94.53(13) . 3_445 ?
Pb1 Se3 Sr4 87.2(2) 3_445 3_445 ?
Sr4 Se3 Sr4 82.3(3) 3_455 3_445 ?
O4 Sr2 O4 117.4(15) . 1_545 ?
O4 Sr2 O3 78.5(9) . . ?
O4 Sr2 O3 78.5(9) 1_545 . ?
O4 Sr2 O1 111.5(10) . . ?
O4 Sr2 O1 111.5(10) 1_545 . ?
O3 Sr2 O1 67.6(14) . . ?
O4 Sr2 Se7 76.9(7) . 1_666 ?
O4 Sr2 Se7 152.7(9) 1_545 1_666 ?
O3 Sr2 Se7 128.5(5) . 1_666 ?
O1 Sr2 Se7 80.7(9) . 1_666 ?
O4 Sr2 Se7 152.7(9) . 1_656 ?
O4 Sr2 Se7 76.9(7) 1_545 1_656 ?
O3 Sr2 Se7 128.5(5) . 1_656 ?
O1 Sr2 Se7 80.7(9) . 1_656 ?
Se7 Sr2 Se7 81.4(3) 1_666 1_656 ?
O4 Sr2 O5 59.3(8) . . ?
O4 Sr2 O5 59.3(8) 1_545 . ?
O3 Sr2 O5 77.5(14) . . ?
O1 Sr2 O5 145.1(16) . . ?
Se7 Sr2 O5 123.9(7) 1_666 . ?
Se7 Sr2 O5 123.9(8) 1_656 . ?
O4 Sr2 Se8 80.9(10) . 1_666 ?
O4 Sr2 Se8 80.9(10) 1_545 1_666 ?
O3 Sr2 Se8 139.6(9) . 1_666 ?
O1 Sr2 Se8 152.9(12) . 1_666 ?
Se7 Sr2 Se8 78.9(3) 1_666 1_666 ?
Se7 Sr2 Se8 78.9(3) 1_656 1_666 ?
O5 Sr2 Se8 62.1(12) . 1_666 ?
O4 Sr2 Sb1 95.3(10) . . ?
O4 Sr2 Sb1 95.3(10) 1_545 . ?
O3 Sr2 Sb1 32.8(8) . . ?
O1 Sr2 Sb1 34.8(11) . . ?
Se7 Sr2 Sb1 106.8(2) 1_666 . ?
Se7 Sr2 Sb1 106.8(2) 1_656 . ?
O5 Sr2 Sb1 110.3(12) . . ?
Se8 Sr2 Sb1 172.4(3) 1_666 . ?
O4 Sr2 Sb2 27.5(9) . . ?
O4 Sr2 Sb2 94.0(8) 1_545 . ?
O3 Sr2 Sb2 86.4(7) . . ?
O1 Sr2 Sb2 137.7(7) . . ?
Se7 Sr2 Sb2 91.81(15) 1_666 . ?
Se7 Sr2 Sb2 139.7(3) 1_656 . ?
O5 Sr2 Sb2 34.9(2) . . ?
Se8 Sr2 Sb2 60.84(17) 1_666 . ?
Sb1 Sr2 Sb2 113.2(2) . . ?
O4 Sr2 Sb2 94.0(8) . 1_545 ?
O4 Sr2 Sb2 27.5(9) 1_545 1_545 ?
O3 Sr2 Sb2 86.4(7) . 1_545 ?
O1 Sr2 Sb2 137.7(7) . 1_545 ?
Se7 Sr2 Sb2 139.7(3) 1_666 1_545 ?
Se7 Sr2 Sb2 91.81(15) 1_656 1_545 ?
O5 Sr2 Sb2 34.9(3) . 1_545 ?
Se8 Sr2 Sb2 60.84(17) 1_666 1_545 ?
Sb1 Sr2 Sb2 113.2(2) . 1_545 ?
Sb2 Sr2 Sb2 68.14(15) . 1_545 ?
O4 Sr2 Sr3 40.6(9) . . ?
O4 Sr2 Sr3 98.9(8) 1_545 . ?
O3 Sr2 Sr3 37.9(4) . . ?
O1 Sr2 Sr3 88.8(10) . . ?
Se7 Sr2 Sr3 105.84(14) 1_666 . ?
Se7 Sr2 Sr3 166.15(19) 1_656 . ?
O5 Sr2 Sr3 62.2(9) . . ?
Se8 Sr2 Sr3 113.84(16) 1_666 . ?
Sb1 Sr2 Sr3 60.07(12) . . ?
Sb2 Sr2 Sr3 53.14(13) . . ?
Sb2 Sr2 Sr3 89.99(12) 1_545 . ?
Pb1 Se2 Sb3 95.4(2) . 1_565 ?
Pb1 Se2 Sb3 95.4(2) . . ?
Sb3 Se2 Sb3 89.2(2) 1_565 . ?
Pb1 Se2 Sr4 170.8(3) . 3_455 ?
Sb3 Se2 Sr4 91.1(2) 1_565 3_455 ?
Sb3 Se2 Sr4 91.1(2) . 3_455 ?
Pb1 Se2 Sr3 93.3(2) . 3_465 ?
Sb3 Se2 Sr3 94.87(11) 1_565 3_465 ?
Sb3 Se2 Sr3 170.0(3) . 3_465 ?
Sr4 Se2 Sr3 79.7(2) 3_455 3_465 ?
Pb1 Se2 Sr3 93.3(2) . 3_455 ?
Sb3 Se2 Sr3 170.0(3) 1_565 3_455 ?
Sb3 Se2 Sr3 94.87(11) . 3_455 ?
Sr4 Se2 Sr3 79.7(2) 3_455 3_455 ?
Sr3 Se2 Sr3 79.7(2) 3_465 3_455 ?
Pb2 Se4 Sb3 90.6(2) 3 . ?
Pb2 Se4 Sb3 90.6(2) 3 1_545 ?
Sb3 Se4 Sb3 87.8(3) . 1_545 ?
Pb1 Se1 Pb1 96.5(3) 1_545 . ?
Pb1 Se1 Sr4 94.4(2) 1_545 . ?
Pb1 Se1 Sr4 94.4(2) . . ?
Pb1 Se1 Sr3 94.8(2) 1_545 3_455 ?
Pb1 Se1 Sr3 94.8(2) . 3_455 ?
Sr4 Se1 Sr3 166.2(3) . 3_455 ?
Sb5 Se8 Sb5 95.0(3) . 1_545 ?
Sb5 Se8 Sr1 93.8(2) . 3_344 ?
Sb5 Se8 Sr1 93.8(2) 1_545 3_344 ?
Sb5 Se8 Sr2 93.6(2) . 1_444 ?
Sb5 Se8 Sr2 93.6(2) 1_545 1_444 ?
Sr1 Se8 Sr2 168.9(3) 3_344 1_444 ?
Sb5 Se7 Pb2 94.6(2) . . ?
Sb5 Se7 Pb2 94.6(2) . 1_545 ?
Pb2 Se7 Pb2 87.8(2) . 1_545 ?
Sb5 Se7 Sr1 173.7(3) . 1_454 ?
Pb2 Se7 Sr1 89.9(2) . 1_454 ?
Pb2 Se7 Sr1 89.9(2) 1_545 1_454 ?
Sb5 Se7 Sr2 94.4(2) . 1_444 ?
Pb2 Se7 Sr2 170.4(3) . 1_444 ?
Pb2 Se7 Sr2 94.69(10) 1_545 1_444 ?
Sr1 Se7 Sr2 80.8(2) 1_454 1_444 ?
Sb5 Se7 Sr2 94.4(2) . 1_454 ?
Pb2 Se7 Sr2 94.69(10) . 1_454 ?
Pb2 Se7 Sr2 170.4(3) 1_545 1_454 ?
Sr1 Se7 Sr2 80.8(2) 1_454 1_454 ?
Sr2 Se7 Sr2 81.4(3) 1_444 1_454 ?
Pb2 Se5 Pb2 90.9(3) 1_565 . ?
Pb2 Se5 Sb4 91.0(2) 1_565 . ?
Pb2 Se5 Sb4 91.0(2) . . ?
Pb2 Se5 Sb3 91.8(3) 1_565 3_445 ?
Pb2 Se5 Sb3 91.8(3) . 3_445 ?
Sb4 Se5 Sb3 176.0(3) . 3_445 ?
Pb2 Se5 Pb1 93.74(10) 1_565 3_445 ?
Pb2 Se5 Pb1 175.4(2) . 3_445 ?
Sb4 Se5 Pb1 89.4(3) . 3_445 ?
Sb3 Se5 Pb1 87.6(3) 3_445 3_445 ?
Pb2 Se5 Pb1 175.3(2) 1_565 3_435 ?
Pb2 Se5 Pb1 93.74(10) . 3_435 ?
Sb4 Se5 Pb1 89.4(3) . 3_435 ?
Sb3 Se5 Pb1 87.6(3) 3_445 3_435 ?
Pb1 Se5 Pb1 81.6(2) 3_445 3_435 ?
Pb2 Se6 Sr1 91.0(3) . 1_454 ?
Pb2 Se6 Sr1 91.0(3) . 1_464 ?
Sr1 Se6 Sr1 85.2(2) 1_454 1_464 ?
Sb1 O3 Sr3 115.0(10) . . ?
Sb1 O3 Sr3 115.0(10) . 1_545 ?
Sr3 O3 Sr3 115.4(14) . 1_545 ?
Sb1 O3 Sr2 101.1(14) . . ?
Sr3 O3 Sr2 103.8(10) . . ?
Sr3 O3 Sr2 103.8(10) 1_545 . ?
Sb2 O6 Sr4 113.8(12) . . ?
Sb2 O6 Sr4 113.8(12) . 1_545 ?
Sr4 O6 Sr4 115.1(18) . 1_545 ?
Sb2 O6 Sr3 97.9(17) . . ?
Sr4 O6 Sr3 107.1(12) . . ?
Sr4 O6 Sr3 107.1(12) 1_545 . ?
Sb2 O5 Sb2 155(4) . 1_545 ?
Sb2 O5 Sr4 100.8(18) . 1_545 ?
Sb2 O5 Sr4 100.8(18) 1_545 1_545 ?
Sb2 O5 Sr2 85.9(17) . . ?
Sb2 O5 Sr2 85.9(17) 1_545 . ?
Sr4 O5 Sr2 139(2) 1_545 . ?
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
Pb1 Se1 2.837(7) . ?
Pb1 Se1 2.837(7) 1_565 ?
Pb1 Se2 2.884(10) . ?
Pb1 Se3 3.171(10) 3 ?
Pb1 Se5 3.238(7) 3 ?
Pb1 Se5 3.238(7) 3_565 ?
Sr1 O1 2.52(3) . ?
Sr1 O1 2.52(3) 1_545 ?
Sr1 O2 2.71(6) 1_545 ?
Sr1 Se6 3.127(7) 1_656 ?
Sr1 Se6 3.127(7) 1_646 ?
Sr1 Se8 3.136(11) 3_656 ?
Sr1 Se7 3.140(9) 1_656 ?
Sr1 Sb1 3.762(7) 1_545 ?
Sr1 Sb1 3.762(7) . ?
Sr1 Sr2 4.141(8) 1_545 ?
Sr1 Sr2 4.141(8) . ?
Sr1 Sr1 4.2335(3) 1_545 ?
O4 Sb2 1.95(4) . ?
O4 Sr2 2.48(2) . ?
O4 Sr2 2.48(2) 1_565 ?
O4 Sr3 2.63(4) . ?
Sb3 Se3 2.991(11) . ?
Sb3 Se2 3.015(6) . ?
Sb3 Se2 3.015(6) 1_545 ?
Sb3 Se4 3.053(7) . ?
Sb3 Se4 3.053(7) 1_565 ?
Sb3 Se5 3.063(11) 3 ?
Pb2 Se5 2.971(7) . ?
Pb2 Se5 2.971(7) 1_545 ?
Pb2 Se6 3.008(11) . ?
Pb2 Se4 3.043(10) 3_445 ?
Pb2 Se7 3.053(6) 1_565 ?
Pb2 Se7 3.053(6) . ?
O1 Sb1 1.97(5) . ?
O1 Sr1 2.52(3) 1_565 ?
O1 Sr2 2.57(5) . ?
Sb4 Se3 3.030(7) . ?
Sb4 Se3 3.030(7) 1_545 ?
Sb4 Se5 3.048(12) . ?
Sr4 O6 2.51(2) . ?
Sr4 O6 2.51(2) 1_565 ?
Sr4 O5 2.64(7) 1_565 ?
Sr4 Se1 3.159(10) . ?
Sr4 Se2 3.160(9) 3_545 ?
Sr4 Se3 3.218(8) 3_545 ?
Sr4 Se3 3.218(8) 3 ?
Sr4 Sb2 3.713(8) 1_565 ?
Sr4 Sb2 3.713(7) . ?
Sr4 Sr3 4.142(9) . ?
Sr4 Sr3 4.142(9) 1_565 ?
Sr4 Sr4 4.2335(3) 1_565 ?
O2 Sb1 2.200(14) . ?
O2 Sb1 2.200(14) 1_565 ?
O2 Sr1 2.71(6) 1_565 ?
O2 Sr3 3.05(5) . ?
Sb1 O3 1.90(4) . ?
Sb1 O2 2.200(14) 1_545 ?
Sb1 Sr2 3.434(9) . ?
Sb1 Sr3 3.726(7) 1_545 ?
Sb1 Sr3 3.726(7) . ?
Sb1 Sr1 3.762(7) 1_565 ?
Sb2 O6 1.91(5) . ?
Sb2 O5 2.168(15) . ?
Sb2 O5 2.168(15) 1_565 ?
Sb2 Sr3 3.463(8) . ?
Sb2 Sr4 3.713(8) 1_545 ?
Sb2 Sr2 3.778(7) . ?
Sb2 Sr2 3.779(7) 1_565 ?
Sb5 Se8 2.870(7) 1_565 ?
Sb5 Se8 2.870(7) . ?
Sb5 Se7 2.890(9) . ?
Sr3 O3 2.504(19) 1_565 ?
Sr3 O3 2.504(19) . ?
Sr3 O6 2.64(4) . ?
Sr3 Se1 3.277(9) 3_545 ?
Sr3 Se2 3.303(8) 3_535 ?
Sr3 Se2 3.303(8) 3_545 ?
Sr3 Sb1 3.726(7) 1_565 ?
Sr3 Sr2 3.955(3) . ?
Se3 Sb4 3.030(7) 1_565 ?
Se3 Pb1 3.171(10) 3_445 ?
Se3 Sr4 3.218(8) 3_455 ?
Se3 Sr4 3.218(8) 3_445 ?
Sr2 O4 2.48(2) 1_545 ?
Sr2 O3 2.52(3) . ?
Sr2 Se7 3.246(8) 1_666 ?
Sr2 Se7 3.246(8) 1_656 ?
Sr2 O5 3.25(6) . ?
Sr2 Se8 3.300(10) 1_666 ?
Sr2 Sb2 3.779(7) 1_545 ?
Se2 Sb3 3.015(6) 1_565 ?
Se2 Sr4 3.160(9) 3_455 ?
Se2 Sr3 3.303(8) 3_465 ?
Se2 Sr3 3.303(8) 3_455 ?
Se4 Pb2 3.043(10) 3 ?
Se4 Sb3 3.053(7) 1_545 ?
Se1 Pb1 2.837(7) 1_545 ?
Se1 Sr3 3.277(9) 3_455 ?
Se8 Sb5 2.870(7) 1_545 ?
Se8 Sr1 3.136(11) 3_344 ?
Se8 Sr2 3.300(10) 1_444 ?
Se7 Pb2 3.053(6) 1_545 ?
Se7 Sr1 3.140(9) 1_454 ?
Se7 Sr2 3.246(8) 1_444 ?
Se7 Sr2 3.246(8) 1_454 ?
Se5 Pb2 2.971(7) 1_565 ?
Se5 Sb3 3.063(11) 3_445 ?
Se5 Pb1 3.238(7) 3_445 ?
Se5 Pb1 3.238(7) 3_435 ?
Se6 Sr1 3.127(7) 1_454 ?
Se6 Sr1 3.127(7) 1_464 ?
O3 Sr3 2.504(19) 1_545 ?
O6 Sr4 2.51(2) 1_545 ?
O5 Sb2 2.168(15) 1_545 ?
O5 Sr4 2.64(7) 1_545 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Sb1 O3 Sr3 111.1(12) . . . . ?
O2 Sb1 O3 Sr3 35.7(18) . . . . ?
O2 Sb1 O3 Sr3 -173.5(19) 1_545 . . . ?
Sr2 Sb1 O3 Sr3 111.1(12) . . . . ?
Sr3 Sb1 O3 Sr3 -138(2) 1_545 . . . ?
Sr1 Sb1 O3 Sr3 147.3(11) . . . . ?
Sr1 Sb1 O3 Sr3 74.9(14) 1_565 . . . ?
O1 Sb1 O3 Sr3 -111.1(12) . . . 1_545 ?
O2 Sb1 O3 Sr3 173.5(19) . . . 1_545 ?
O2 Sb1 O3 Sr3 -35.7(19) 1_545 . . 1_545 ?
Sr2 Sb1 O3 Sr3 -111.1(12) . . . 1_545 ?
Sr3 Sb1 O3 Sr3 138(2) . . . 1_545 ?
Sr1 Sb1 O3 Sr3 -74.9(14) . . . 1_545 ?
Sr1 Sb1 O3 Sr3 -147.3(11) 1_565 . . 1_545 ?
O1 Sb1 O3 Sr2 0.000(1) . . . . ?
O2 Sb1 O3 Sr2 -75.4(14) . . . . ?
O2 Sb1 O3 Sr2 75.4(14) 1_545 . . . ?
Sr3 Sb1 O3 Sr2 111.1(12) 1_545 . . . ?
Sr3 Sb1 O3 Sr2 -111.1(12) . . . . ?
Sr1 Sb1 O3 Sr2 36.2(2) . . . . ?
Sr1 Sb1 O3 Sr2 -36.2(2) 1_565 . . . ?
