#------------------------------------------------------------------------------
#$Date: 2025-08-04 10:03:09 +0300 (Mon, 04 Aug 2025) $
#$Revision: 301442 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/62/7056283.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_7056283
loop_
_publ_author_name
'Chen, Zhaohui'
'Liu, Yaqin'
'Shi, Yunjing'
'Zhang, Wenyao'
'Jing, Qun'
'Fang, Yuan'
'Dong, Xiaoyu'
_publ_section_title
;
 M3V2B10O23 (M = Ca, Sr): Two new vanadoborates with new [V2B10O23]∞
 double layers
;
_journal_issue                   14
_journal_name_full               'New J. Chem.'
_journal_page_first              6730
_journal_page_last               6735
_journal_paper_doi               10.1039/C6NJ04069A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'B10 O23 Sr3 V2'
_chemical_formula_weight         840.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.333(3)
_cell_angle_beta                 103.334(3)
_cell_angle_gamma                90.432(3)
_cell_formula_units_Z            2
_cell_length_a                   6.639(2)
_cell_length_b                   11.571(4)
_cell_length_c                   12.998(4)
_cell_measurement_reflns_used    1942
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.68
_cell_measurement_theta_min      3.15
_cell_volume                     879.3(5)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0756
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6431
_diffrn_reflns_theta_full        27.68
_diffrn_reflns_theta_max         27.68
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    10.193
_exptl_absorpt_correction_T_max  0.4288
_exptl_absorpt_correction_T_min  0.2350
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.176
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             788
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.915
_refine_diff_density_min         -2.101
_refine_diff_density_rms         0.247
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         3951
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0645P)²+6.2160P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1245
_refine_ls_wR_factor_ref         0.1406
_reflns_number_gt                3022
_reflns_number_total             3951
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6nj04069a3.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7056283
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
B1 B 0.2026(12) 0.8741(7) 0.3213(7) 0.0106(15) Uani 1 1 d .
B2 B 0.9183(11) 0.7577(7) 0.3443(7) 0.0086(15) Uani 1 1 d .
B3 B 0.2642(12) 0.6064(8) 0.6385(7) 0.0103(15) Uani 1 1 d .
B4 B -0.0837(11) 0.6598(7) 0.6707(7) 0.0081(14) Uani 1 1 d .
B5 B -0.4204(12) 0.7496(7) 0.6609(7) 0.0094(15) Uani 1 1 d .
B6 B -0.4729(12) 0.9480(8) 0.6326(7) 0.0104(15) Uani 1 1 d .
B7 B 0.0438(14) 0.2908(9) -0.1524(8) 0.0183(18) Uani 1 1 d .
B8 B -0.0157(12) 0.5591(8) 0.3804(7) 0.0111(15) Uani 1 1 d .
B9 B 0.4173(12) 1.1435(8) 0.6280(7) 0.0112(15) Uani 1 1 d .
B10 B -0.1936(13) 0.7946(9) -0.1509(8) 0.0157(17) Uani 1 1 d .
O1 O 0.1369(9) 1.1449(7) 0.0312(5) 0.0318(16) Uani 1 1 d .
O2 O -0.3675(7) 0.8172(5) -0.2132(4) 0.0135(11) Uani 1 1 d .
O3 O 0.1193(8) 0.8020(5) 0.1946(5) 0.0163(11) Uani 1 1 d .
O4 O 0.1064(10) 0.3587(6) -0.0331(5) 0.0312(16) Uani 1 1 d .
O5 O 0.7332(7) 0.7836(5) 0.3939(4) 0.0096(10) Uani 1 1 d .
O6 O 0.3859(7) 0.8151(5) 0.3599(5) 0.0132(11) Uani 1 1 d .
O7 O 0.0462(7) 0.8770(4) 0.3825(4) 0.0089(10) Uani 1 1 d .
O8 O 0.3708(7) 1.0273(5) 0.6267(5) 0.0140(11) Uani 1 1 d .
O9 O -0.2713(7) 0.9928(4) 0.6524(4) 0.0109(10) Uani 1 1 d .
O10 O -0.2360(7) 0.7195(5) 0.6165(4) 0.0081(9) Uani 1 1 d .
O11 O 0.1179(7) 0.6887(5) 0.6508(5) 0.0124(10) Uani 1 1 d .
O12 O 0.4492(7) 0.6246(5) 0.6183(4) 0.0106(10) Uani 1 1 d .
O13 O 0.1357(7) 0.4812(5) 0.3799(5) 0.0125(10) Uani 1 1 d .
O14 O 0.0417(7) 0.6806(5) 0.4006(4) 0.0109(10) Uani 1 1 d .
O15 O 0.7816(7) 0.5135(5) 0.3652(5) 0.0116(10) Uani 1 1 d .
O16 O -0.0597(8) 0.7110(5) -0.2015(5) 0.0173(11) Uani 1 1 d .
O17 O -0.5431(7) 0.8282(4) 0.6098(4) 0.0102(10) Uani 1 1 d .
O18 O 0.1446(8) 0.3148(5) -0.2213(4) 0.0166(12) Uani 1 1 d .
O20 O 0.1438(17) 0.9600(10) -0.1855(10) 0.019(2) Uani 0.50 1 d PU
O21 O 0.5880(15) 1.0701(10) 0.0054(10) 0.017(2) Uani 0.50 1 d P
O22 O 0.4212(16) 0.5707(10) 0.0094(10) 0.018(2) Uani 0.50 1 d P
O23 O 0.304(2) 0.5453(11) 0.1903(10) 0.027(3) Uani 0.50 1 d P
O24 O 0.455(2) 1.1367(13) -0.0734(13) 0.038(3) Uani 0.50 1 d P
O26 O 0.516(2) 0.3685(13) 0.0816(13) 0.037(3) Uani 0.50 1 d P
O27 O 0.419(2) 0.4403(13) 0.1819(12) 0.038(3) Uani 0.50 1 d P
O28 O 0.305(2) 0.5970(15) 0.0892(14) 0.047(4) Uani 0.50 1 d P
O29 O 0.260(3) 1.0642(19) -0.1765(18) 0.070(5) Uani 0.50 1 d PU
O30 O 0.218(3) 0.906(2) -0.0891(18) 0.074(6) Uani 0.50 1 d PU
Sr1 Sr 0.19418(10) 0.74734(7) -0.00453(6) 0.01318(18) Uani 1 1 d .
Sr2 Sr 0.45438(10) 0.61765(6) 0.40101(6) 0.01179(18) Uani 1 1 d .
Sr3 Sr 0.04839(10) 0.88400(6) 0.60341(6) 0.01154(18) Uani 1 1 d .
V4 V 0.3502(2) 0.45652(13) 0.06112(12) 0.0199(3) Uani 1 1 d .
V5 V 0.2991(2) 1.04872(15) -0.05912(12) 0.0260(4) Uani 1 1 d .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
V V 0.3005 0.5294 '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
O7 B1 O3 111.3(6) . .
O7 B1 O9 107.8(6) . 2_576
O3 B1 O9 109.2(6) . 2_576
O7 B1 O6 111.3(6) . .
O3 B1 O6 108.4(6) . .
O9 B1 O6 108.8(5) 2_576 .
O7 B1 Sr3 60.8(3) . 2_576
O3 B1 Sr3 106.1(5) . 2_576
O9 B1 Sr3 51.8(3) 2_576 2_576
O6 B1 Sr3 144.7(5) . 2_576
O18 B2 O7 114.6(6) 2_665 1_655
O18 B2 O5 110.6(6) 2_665 .
O7 B2 O5 109.2(6) 1_655 .
O18 B2 O14 109.7(6) 2_665 1_655
O7 B2 O14 107.2(6) 1_655 1_655
O5 B2 O14 105.0(5) . 1_655
O18 B2 Sr3 174.1(5) 2_665 1_655
O7 B2 Sr3 70.5(4) 1_655 1_655
O5 B2 Sr3 69.1(4) . 1_655
O14 B2 Sr3 65.2(3) 1_655 1_655
O12 B3 O11 125.4(7) . .
O12 B3 O15 114.9(6) . 2_666
O11 B3 O15 119.5(6) . 2_666
O12 B3 Sr2 62.9(4) . 2_666
O11 B3 Sr2 171.0(5) . 2_666
O15 B3 Sr2 52.0(3) 2_666 2_666
O10 B4 O11 106.8(6) . .
O10 B4 O16 112.1(6) . 1_556
O11 B4 O16 108.4(5) . 1_556
O10 B4 O13 112.5(5) . 2_566
O11 B4 O13 109.1(5) . 2_566
O16 B4 O13 107.8(6) 1_556 2_566
O10 B4 Sr3 57.9(3) . .
O11 B4 Sr3 51.8(3) . .
O16 B4 Sr3 110.1(4) 1_556 .
O13 B4 Sr3 141.5(5) 2_566 .
O2 B5 O10 112.0(6) 1_556 .
O2 B5 O17 109.0(6) 1_556 .
O10 B5 O17 110.1(6) . .
O2 B5 O12 111.9(6) 1_556 1_455
O10 B5 O12 106.2(5) . 1_455
O17 B5 O12 107.6(6) . 1_455
O2 B5 Sr2 177.3(5) 1_556 1_455
O10 B5 Sr2 70.2(4) . 1_455
O17 B5 Sr2 68.5(3) . 1_455
O12 B5 Sr2 68.5(3) 1_455 1_455
O17 B6 O9 125.9(7) . .
O17 B6 O8 114.5(6) . 1_455
O9 B6 O8 119.4(6) . 1_455
O17 B6 Sr3 61.7(3) . 1_455
O9 B6 Sr3 172.0(5) . 1_455
O8 B6 Sr3 53.4(3) 1_455 1_455
O18 B7 O3 123.0(8) . 2_565
O18 B7 O4 120.5(7) . .
O3 B7 O4 116.4(7) 2_565 .
O18 B7 Sr1 176.3(6) . 2_565
O3 B7 Sr1 58.2(4) 2_565 2_565
O4 B7 Sr1 58.5(4) . 2_565
O14 B8 O13 117.7(6) . .
O14 B8 O15 123.1(7) . 1_455
O13 B8 O15 119.2(7) . 1_455
O14 B8 Sr2 65.7(4) . .
O13 B8 Sr2 52.2(3) . .
O15 B8 Sr2 171.1(5) 1_455 .
O6 B9 O5 116.8(7) 2_676 2_676
O6 B9 O8 120.4(7) 2_676 .
O5 B9 O8 122.4(6) 2_676 .
O6 B9 Sr2 55.7(4) 2_676 2_676
O5 B9 Sr2 61.2(4) 2_676 2_676
O8 B9 Sr2 171.6(5) . 2_676
O2 B10 O1 121.2(7) . 2_575
O2 B10 O16 123.2(7) . .
O1 B10 O16 115.6(7) 2_575 .
O2 B10 Sr1 178.4(6) . .
O1 B10 Sr1 57.2(4) 2_575 .
O16 B10 Sr1 58.3(4) . .
B10 O1 V5 125.2(5) 2_575 .
B10 O1 Sr1 96.0(5) 2_575 2_575
V5 O1 Sr1 137.7(3) . 2_575
B10 O2 B5 118.7(6) . 1_554
B7 O3 B1 119.7(6) 2_565 .
B7 O3 Sr1 95.1(5) 2_565 .
B1 O3 Sr1 144.2(4) . .
B7 O4 V4 130.7(5) . .
B7 O4 Sr1 94.4(5) . 2_565
V4 O4 Sr1 133.3(3) . 2_565
B9 O5 B2 125.6(6) 2_676 .
B9 O5 Sr2 92.4(4) 2_676 .
B2 O5 Sr2 129.1(4) . .
B9 O5 Sr3 120.3(4) 2_676 1_655
B2 O5 Sr3 81.1(4) . 1_655
Sr2 O5 Sr3 109.87(17) . 1_655
B9 O6 B1 123.3(6) 2_676 .
B9 O6 Sr2 98.9(4) 2_676 .
B1 O6 Sr2 137.5(4) . .
B1 O7 B2 116.3(5) . 1_455
B1 O7 Sr3 92.3(4) . 2_576
B2 O7 Sr3 132.7(4) 1_455 2_576
B1 O7 Sr3 135.1(4) . .
B2 O7 Sr3 80.7(4) 1_455 .
Sr3 O7 Sr3 105.62(15) 2_576 .
B9 O8 B6 120.2(6) . 1_655
B9 O8 Sr3 138.8(4) . .
B6 O8 Sr3 100.8(4) 1_655 .
B6 O9 B1 123.6(6) . 2_576
B6 O9 Sr3 133.1(4) . .
B1 O9 Sr3 101.2(4) 2_576 .
B4 O10 B5 117.0(6) . .
B4 O10 Sr3 95.8(4) . .
B5 O10 Sr3 127.9(4) . .
B4 O10 Sr2 131.4(4) . 1_455
B5 O10 Sr2 81.0(4) . 1_455
Sr3 O10 Sr2 107.51(16) . 1_455
B3 O11 B4 121.8(6) . .
B3 O11 Sr3 135.2(4) . .
B4 O11 Sr3 101.5(4) . .
B3 O12 B5 126.9(6) . 1_655
B3 O12 Sr2 118.6(4) . .
B5 O12 Sr2 81.6(4) 1_655 .
B3 O12 Sr2 91.7(4) . 2_666
B5 O12 Sr2 133.1(4) 1_655 2_666
Sr2 O12 Sr2 103.97(16) . 2_666
B8 O13 B4 121.1(6) . 2_566
B8 O13 Sr2 102.7(4) . .
B4 O13 Sr2 131.8(4) 2_566 .
B8 O14 B2 125.9(6) . 1_455
B8 O14 Sr3 123.0(4) . .
B2 O14 Sr3 84.4(4) 1_455 .
B8 O14 Sr2 88.6(4) . .
B2 O14 Sr2 128.8(4) 1_455 .
Sr3 O14 Sr2 109.03(16) . .
B8 O15 B3 120.6(6) 1_655 2_666
B8 O15 Sr2 134.2(5) 1_655 .
B3 O15 Sr2 102.3(4) 2_666 .
B10 O16 B4 119.8(6) . 1_554
B10 O16 Sr1 94.6(5) . .
B4 O16 Sr1 144.1(4) 1_554 .
B6 O17 B5 123.0(6) . .
B6 O17 Sr3 93.1(4) . 1_455
B5 O17 Sr3 130.1(4) . 1_455
B6 O17 Sr2 122.7(4) . 1_455
B5 O17 Sr2 82.0(4) . 1_455
Sr3 O17 Sr2 108.03(16) 1_455 1_455
B7 O18 B2 120.1(6) . 2_665
O29 O20 O30 118.7(14) . .
O29 O20 V5 62.6(10) . .
O30 O20 V5 59.1(8) . .
O29 O20 Sr3 89.1(10) . 1_554
O30 O20 Sr3 139.4(10) . 1_554
V5 O20 Sr3 149.7(6) . 1_554
O30 O21 O24 138.8(13) 2_675 .
O30 O21 V5 55.8(9) 2_675 2_675
O24 O21 V5 163.6(9) . 2_675
O30 O21 V5 160.1(11) 2_675 .
O24 O21 V5 51.5(5) . .
V5 O21 V5 118.1(6) 2_675 .
O30 O21 Sr1 72.3(10) 2_675 2_675
O24 O21 Sr1 67.4(6) . 2_675
V5 O21 Sr1 123.9(5) 2_675 2_675
V5 O21 Sr1 118.0(5) . 2_675
O28 O22 O26 139.4(11) . 2_665
O28 O22 V4 56.6(8) . .
O26 O22 V4 160.3(8) 2_665 .
O28 O22 V4 162.7(11) . 2_665
O26 O22 V4 50.3(5) 2_665 2_665
V4 O22 V4 118.4(6) . 2_665
O28 O22 Sr1 72.1(8) . .
O26 O22 Sr1 68.0(6) 2_665 .
V4 O22 Sr1 123.2(5) . .
V4 O22 Sr1 117.7(5) 2_665 .
O27 O23 O28 114.9(11) . .
O27 O23 V4 62.7(7) . .
O28 O23 V4 56.0(7) . .
O27 O23 Sr2 83.5(8) . .
O28 O23 Sr2 138.1(8) . .
V4 O23 Sr2 141.7(7) . .
V5 O24 O29 60.8(9) . .
V5 O24 O21 72.5(7) . .
O29 O24 O21 122.3(12) . .
V5 O24 Sr1 145.2(9) . 2_675
O29 O24 Sr1 151.7(11) . 2_675
O21 O24 Sr1 74.6(6) . 2_675
O27 O26 V4 63.5(8) . .
O27 O26 O22 124.9(10) . 2_665
V4 O26 O22 71.0(7) . 2_665
O27 O26 Sr1 151.0(10) . 2_665
V4 O26 Sr1 142.4(8) . 2_665
O22 O26 Sr1 72.5(6) 2_665 2_665
O23 O27 O26 124.1(12) . .
O23 O27 V4 66.3(8) . .
O26 O27 V4 59.4(7) . .
O23 O27 Sr2 65.0(7) . .
O26 O27 Sr2 150.2(9) . .
V4 O27 Sr2 128.2(8) . .
O22 O28 V4 76.1(8) . .
O22 O28 O23 131.6(13) . .
V4 O28 O23 62.5(7) . .
O22 O28 Sr1 76.9(9) . .
V4 O28 Sr1 142.9(9) . .
O23 O28 Sr1 151.1(9) . .
O20 O29 O24 123.1(16) . .
O20 O29 V5 66.4(10) . .
O24 O29 V5 58.9(9) . .
O20 O29 Sr3 61.2(9) . 1_554
O24 O29 Sr3 155.6(12) . 1_554
V5 O29 Sr3 126.5(11) . 1_554
O21 O30 V5 76.7(11) 2_675 .
O21 O30 O20 130.3(16) 2_675 .
V5 O30 O20 61.0(9) . .
O21 O30 Sr1 75.2(10) 2_675 .
V5 O30 Sr1 144.4(12) . .
O20 O30 Sr1 153.2(12) . .
O24 Sr1 O26 62.2(5) 2_675 2_665
O24 Sr1 O30 70.3(6) 2_675 .
O26 Sr1 O30 93.6(6) 2_665 .
O24 Sr1 O28 91.3(5) 2_675 .
O26 Sr1 O28 70.4(5) 2_665 .
O30 Sr1 O28 160.1(6) . .
O24 Sr1 O21 38.0(4) 2_675 2_675
O26 Sr1 O21 79.7(4) 2_665 2_675
O30 Sr1 O21 32.5(5) . 2_675
O28 Sr1 O21 129.3(4) . 2_675
O24 Sr1 O1 123.1(4) 2_675 2_575
O26 Sr1 O1 150.9(4) 2_665 2_575
O30 Sr1 O1 65.9(5) . 2_575
O28 Sr1 O1 133.2(4) . 2_575
O21 Sr1 O1 90.9(3) 2_675 2_575
O24 Sr1 O3 96.0(4) 2_675 .
O26 Sr1 O3 128.1(4) 2_665 .
O30 Sr1 O3 124.4(5) . .
O28 Sr1 O3 63.3(4) . .
O21 Sr1 O3 112.6(3) 2_675 .
O1 Sr1 O3 80.98(19) 2_575 .
O24 Sr1 O4 147.4(4) 2_675 2_565
O26 Sr1 O4 123.8(3) 2_665 2_565
O30 Sr1 O4 134.3(5) . 2_565
O28 Sr1 O4 65.6(4) . 2_565
O21 Sr1 O4 156.5(3) 2_675 2_565
O1 Sr1 O4 69.2(2) 2_575 2_565
O3 Sr1 O4 53.72(17) . 2_565
O24 Sr1 O16 125.8(4) 2_675 .
O26 Sr1 O16 98.6(4) 2_665 .
O30 Sr1 O16 60.5(5) . .
O28 Sr1 O16 131.8(4) . .
O21 Sr1 O16 91.7(3) 2_675 .
O1 Sr1 O16 53.88(17) 2_575 .
O3 Sr1 O16 129.45(17) . .
O4 Sr1 O16 86.48(19) 2_565 .
O24 Sr1 O22 78.4(4) 2_675 .
O26 Sr1 O22 39.5(4) 2_665 .
O30 Sr1 O22 132.6(5) . .
O28 Sr1 O22 31.0(4) . .
O21 Sr1 O22 110.9(3) 2_675 .
O1 Sr1 O22 158.0(3) 2_575 .
O3 Sr1 O22 92.9(3) . .
O4 Sr1 O22 90.1(3) 2_565 .
O16 Sr1 O22 119.8(3) . .
O24 Sr1 B7 121.5(4) 2_675 2_565
O26 Sr1 B7 129.6(4) 2_665 2_565
O30 Sr1 B7 136.5(5) . 2_565
O28 Sr1 B7 59.6(4) . 2_565
O21 Sr1 B7 137.4(3) 2_675 2_565
O1 Sr1 B7 74.8(2) 2_575 2_565
O3 Sr1 B7 26.7(2) . 2_565
O4 Sr1 B7 27.1(2) 2_565 2_565
O16 Sr1 B7 109.8(2) . 2_565
O22 Sr1 B7 90.2(3) . 2_565
O24 Sr1 B10 129.6(4) 2_675 .
O26 Sr1 B10 125.2(4) 2_665 .
O30 Sr1 B10 59.9(5) . .
O28 Sr1 B10 139.1(4) . .
O21 Sr1 B10 91.7(3) 2_675 .
O1 Sr1 B10 26.78(19) 2_575 .
O3 Sr1 B10 105.3(2) . .
O4 Sr1 B10 76.2(2) 2_565 .
O16 Sr1 B10 27.11(19) . .
O22 Sr1 B10 143.0(3) . .
B7 Sr1 B10 92.2(2) 2_565 .
O23 Sr2 O13 81.8(3) . .
O23 Sr2 O15 91.2(3) . .
O13 Sr2 O15 118.86(16) . .
O23 Sr2 O6 71.5(3) . .
O13 Sr2 O6 115.99(16) . .
O15 Sr2 O6 118.76(16) . .
O23 Sr2 O27 31.5(4) . .
O13 Sr2 O27 81.6(3) . .
O15 Sr2 O27 64.8(3) . .
O6 Sr2 O27 99.6(3) . .
O23 Sr2 O5 89.0(3) . .
O13 Sr2 O5 166.98(16) . .
O15 Sr2 O5 70.34(15) . .
O6 Sr2 O5 51.79(15) . .
O27 Sr2 O5 95.5(3) . .
O23 Sr2 O17 138.6(3) . 1_655
O13 Sr2 O17 99.95(15) . 1_655
O15 Sr2 O17 121.85(15) . 1_655
O6 Sr2 O17 70.68(16) . 1_655
O27 Sr2 O17 169.9(3) . 1_655
O5 Sr2 O17 80.80(14) . 1_655
O23 Sr2 O12 152.1(3) . .
O13 Sr2 O12 70.21(16) . .
O15 Sr2 O12 102.10(15) . .
O6 Sr2 O12 120.51(15) . .
O27 Sr2 O12 137.8(3) . .
O5 Sr2 O12 118.51(14) . .
O17 Sr2 O12 50.84(14) 1_655 .
O23 Sr2 O12 94.4(3) . 2_666
O13 Sr2 O12 68.95(15) . 2_666
O15 Sr2 O12 51.04(14) . 2_666
O6 Sr2 O12 163.40(16) . 2_666
O27 Sr2 O12 64.7(3) . 2_666
O5 Sr2 O12 121.30(14) . 2_666
O17 Sr2 O12 125.22(15) 1_655 2_666
O12 Sr2 O12 76.03(16) . 2_666
O23 Sr2 O10 157.7(3) . 1_655
O13 Sr2 O10 119.13(16) . 1_655
O15 Sr2 O10 72.40(15) . 1_655
O6 Sr2 O10 102.66(15) . 1_655
O27 Sr2 O10 137.1(3) . 1_655
O5 Sr2 O10 71.43(14) . 1_655
O17 Sr2 O10 50.56(13) 1_655 1_655
O12 Sr2 O10 49.57(13) . 1_655
O12 Sr2 O10 87.05(14) 2_666 1_655
O23 Sr2 O14 80.0(3) . .
O13 Sr2 O14 50.79(15) . .
O15 Sr2 O14 167.05(15) . .
O6 Sr2 O14 67.55(15) . .
O27 Sr2 O14 103.8(3) . .
O5 Sr2 O14 118.55(14) . .
O17 Sr2 O14 70.37(14) 1_655 .
O12 Sr2 O14 82.24(14) . .
O12 Sr2 O14 119.73(14) 2_666 .
O10 Sr2 O14 118.49(14) 1_655 .
O23 Sr2 B5 167.9(3) . 1_655
O13 Sr2 B5 97.6(2) . 1_655
O15 Sr2 B5 99.57(19) . 1_655
O6 Sr2 B5 98.20(19) . 1_655
O27 Sr2 B5 160.5(4) . 1_655
O5 Sr2 B5 89.40(18) . 1_655
O17 Sr2 B5 29.48(18) 1_655 1_655
O12 Sr2 B5 29.87(17) . 1_655
O12 Sr2 B5 96.71(19) 2_666 1_655
O10 Sr2 B5 28.87(17) 1_655 1_655
O14 Sr2 B5 90.23(18) . 1_655
O20 Sr3 O9 79.6(3) 1_556 .
O20 Sr3 O8 87.8(3) 1_556 .
O9 Sr3 O8 117.29(16) . .
O20 Sr3 O11 71.9(3) 1_556 .
O9 Sr3 O11 116.64(15) . .
O8 Sr3 O11 116.79(16) . .
O20 Sr3 O14 143.6(3) 1_556 .
O9 Sr3 O14 124.26(15) . .
O8 Sr3 O14 101.21(16) . .
O11 Sr3 O14 72.52(16) . .
O20 Sr3 O10 82.4(3) 1_556 .
O9 Sr3 O10 69.31(15) . .
O8 Sr3 O10 167.08(16) . .
O11 Sr3 O10 51.96(14) . .
O14 Sr3 O10 82.05(14) . .
O20 Sr3 O29 29.7(5) 1_556 1_556
O9 Sr3 O29 84.7(4) . 1_556
O8 Sr3 O29 60.3(4) . 1_556
O11 Sr3 O29 95.2(5) . 1_556
O14 Sr3 O29 151.0(4) . 1_556
O10 Sr3 O29 111.4(4) . 1_556
O20 Sr3 O7 92.5(3) 1_556 2_576
O9 Sr3 O7 52.24(14) . 2_576
O8 Sr3 O7 67.54(15) . 2_576
O11 Sr3 O7 163.19(15) . 2_576
O14 Sr3 O7 123.64(15) . 2_576
O10 Sr3 O7 121.16(14) . 2_576
O29 Sr3 O7 72.4(4) 1_556 2_576
O20 Sr3 O17 87.2(3) 1_556 1_655
O9 Sr3 O17 162.97(15) . 1_655
O8 Sr3 O17 50.90(15) . 1_655
O11 Sr3 O17 68.39(14) . 1_655
O14 Sr3 O17 72.56(14) . 1_655
O10 Sr3 O17 119.79(14) . 1_655
O29 Sr3 O17 78.5(4) 1_556 1_655
O7 Sr3 O17 118.41(14) 2_576 1_655
O20 Sr3 O5 147.9(3) 1_556 1_455
O9 Sr3 O5 74.29(15) . 1_455
O8 Sr3 O5 120.64(16) . 1_455
O11 Sr3 O5 103.54(15) . 1_455
O14 Sr3 O5 51.11(14) . 1_455
O10 Sr3 O5 71.17(14) . 1_455
O29 Sr3 O5 156.5(4) 1_556 1_455
O7 Sr3 O5 86.13(14) 2_576 1_455
O17 Sr3 O5 121.49(14) 1_655 1_455
O20 Sr3 O7 158.2(3) 1_556 .
O9 Sr3 O7 104.36(15) . .
O8 Sr3 O7 71.21(16) . .
O11 Sr3 O7 122.37(15) . .
O14 Sr3 O7 50.79(14) . .
O10 Sr3 O7 119.18(14) . .
O29 Sr3 O7 128.6(4) 1_556 .
O7 Sr3 O7 74.38(15) 2_576 .
O17 Sr3 O7 84.12(14) 1_655 .
O5 Sr3 O7 50.29(13) 1_455 .
O20 Sr3 B2 172.5(3) 1_556 1_455
O9 Sr3 B2 101.89(19) . 1_455
O8 Sr3 B2 97.90(19) . 1_455
O11 Sr3 B2 100.96(19) . 1_455
O14 Sr3 B2 30.37(18) . 1_455
O10 Sr3 B2 91.16(17) . 1_455
O29 Sr3 B2 157.3(5) 1_556 1_455
O7 Sr3 B2 94.22(18) 2_576 1_455
O17 Sr3 B2 92.62(18) 1_655 1_455
O5 Sr3 B2 29.79(17) 1_455 1_455
O7 Sr3 B2 28.79(17) . 1_455
O26 V4 O28 145.6(8) . .
O26 V4 O27 57.1(8) . .
O28 V4 O27 109.1(8) . .
O26 V4 O23 107.0(7) . .
O28 V4 O23 61.5(7) . .
O27 V4 O23 51.0(7) . .
O26 V4 O22 117.4(6) . .
O28 V4 O22 47.2(6) . .
O27 V4 O22 135.6(6) . .
O23 V4 O22 104.8(6) . .
O26 V4 O4 109.3(6) . .
O28 V4 O4 105.1(6) . .
O27 V4 O4 111.8(5) . .
O23 V4 O4 106.7(5) . .
O22 V4 O4 110.9(4) . .
O26 V4 O22 58.6(6) . 2_665
O28 V4 O22 106.7(6) . 2_665
O27 V4 O22 109.0(6) . 2_665
O23 V4 O22 138.3(5) . 2_665
O22 V4 O22 61.6(6) . 2_665
O4 V4 O22 114.9(4) . 2_665
O26 V4 Sr1 23.4(5) . 2_665
O28 V4 Sr1 138.5(6) . 2_665
O27 V4 Sr1 79.6(6) . 2_665
O23 V4 Sr1 127.0(4) . 2_665
O22 V4 Sr1 97.5(4) . 2_665
O4 V4 Sr1 108.9(2) . 2_665
O22 V4 Sr1 36.4(3) 2_665 2_665
O26 V4 Sr1 150.6(5) . .
O28 V4 Sr1 23.1(6) . .
O27 V4 Sr1 132.2(5) . .
O23 V4 Sr1 83.6(4) . .
O22 V4 Sr1 33.9(3) . .
O4 V4 Sr1 93.0(2) . .
O22 V4 Sr1 95.0(3) 2_665 .
Sr1 V4 Sr1 131.28(4) 2_665 .
O26 V4 Sr2 85.1(6) . .
O28 V4 Sr2 76.3(6) . .
O27 V4 Sr2 32.8(5) . .
O23 V4 Sr2 22.9(4) . .
O22 V4 Sr2 110.3(4) . .
O4 V4 Sr2 121.97(19) . .
O22 V4 Sr2 120.0(3) 2_665 .
Sr1 V4 Sr2 104.14(4) 2_665 .
Sr1 V4 Sr2 99.45(4) . .
O24 V5 O29 60.2(9) . .
O24 V5 O30 146.4(9) . .
O29 V5 O30 108.3(11) . .
O24 V5 O20 109.5(7) . .
O29 V5 O20 51.0(8) . .
O30 V5 O20 59.9(9) . .
O24 V5 O1 109.5(6) . .
O29 V5 O1 110.5(8) . .
O30 V5 O1 104.0(8) . .
O20 V5 O1 106.5(4) . .
O24 V5 O21 116.3(6) . 2_675
O29 V5 O21 136.1(8) . 2_675
O30 V5 O21 47.6(8) . 2_675
O20 V5 O21 103.3(5) . 2_675
O1 V5 O21 111.0(4) . 2_675
O24 V5 O21 56.0(7) . .
O29 V5 O21 108.2(8) . .
O30 V5 O21 106.6(8) . .
O20 V5 O21 134.8(5) . .
O1 V5 O21 118.6(4) . .
O21 V5 O21 61.9(6) 2_675 .
O24 V5 Sr1 21.5(6) . 2_675
O29 V5 Sr1 81.0(7) . 2_675
O30 V5 Sr1 139.7(7) . 2_675
O20 V5 Sr1 127.8(4) . 2_675
O1 V5 Sr1 109.0(2) . 2_675
O21 V5 Sr1 98.2(3) 2_675 2_675
O21 V5 Sr1 36.3(3) . 2_675
O24 V5 Sr3 91.4(6) . 1_554
O29 V5 Sr3 34.7(7) . 1_554
O30 V5 Sr3 73.8(8) . 1_554
O20 V5 Sr3 18.2(4) . 1_554
O1 V5 Sr3 116.59(19) . 1_554
O21 V5 Sr3 110.8(3) 2_675 1_554
O21 V5 Sr3 122.4(3) . 1_554
Sr1 V5 Sr3 109.60(4) 2_675 1_554
O24 V5 Sr1 148.2(6) . .
O29 V5 Sr1 130.2(7) . .
O30 V5 Sr1 22.0(8) . .
O20 V5 Sr1 81.4(4) . .
O1 V5 Sr1 94.8(3) . .
O21 V5 Sr1 32.8(3) 2_675 .
O21 V5 Sr1 94.7(3) . .
Sr1 V5 Sr1 130.93(4) 2_675 .
Sr3 V5 Sr1 95.75(4) 1_554 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
B1 O7 1.440(9) .
B1 O3 1.467(9) .
B1 O9 1.477(9) 2_576
B1 O6 1.488(9) .
B1 Sr3 3.183(8) 2_576
B2 O18 1.420(9) 2_665
B2 O7 1.448(9) 1_655
B2 O5 1.492(8) .
B2 O14 1.507(9) 1_655
B2 Sr3 2.967(8) 1_655
B3 O12 1.346(9) .
B3 O11 1.355(9) .
B3 O15 1.397(10) 2_666
B3 Sr2 3.145(8) 2_666
B4 O10 1.442(9) .
B4 O11 1.481(8) .
B4 O16 1.485(9) 1_556
B4 O13 1.489(9) 2_566
B4 Sr3 3.233(8) .
B5 O2 1.445(9) 1_556
B5 O10 1.456(9) .
B5 O17 1.480(9) .
B5 O12 1.499(9) 1_455
B5 Sr2 2.978(8) 1_455
B6 O17 1.348(9) .
B6 O9 1.359(9) .
B6 O8 1.400(9) 1_455
B6 Sr3 3.158(8) 1_455
B7 O18 1.344(10) .
B7 O3 1.360(10) 2_565
B7 O4 1.375(11) .
B7 Sr1 3.012(9) 2_565
B8 O14 1.354(9) .
B8 O13 1.354(9) .
B8 O15 1.382(9) 1_455
B8 Sr2 3.115(8) .
B9 O6 1.340(9) 2_676
B9 O5 1.367(9) 2_676
B9 O8 1.370(10) .
B9 Sr2 3.079(8) 2_676
B10 O2 1.344(10) .
B10 O1 1.371(10) 2_575
B10 O16 1.384(9) .
B10 Sr1 3.027(9) .
O1 B10 1.371(10) 2_575
O1 V5 1.817(6) .
O1 Sr1 2.559(6) 2_575
O2 B5 1.445(9) 1_554
O3 B7 1.360(10) 2_565
O3 Sr1 2.568(5) .
O4 V4 1.821(6) .
O4 Sr1 2.576(6) 2_565
O5 B9 1.367(9) 2_676
O5 Sr2 2.701(5) .
O5 Sr3 2.806(5) 1_655
O6 B9 1.340(9) 2_676
O6 Sr2 2.573(5) .
O7 B2 1.448(9) 1_455
O7 Sr3 2.781(5) 2_576
O7 Sr3 2.835(5) .
O8 B6 1.400(9) 1_655
O8 Sr3 2.579(5) .
O9 B1 1.477(9) 2_576
O9 Sr3 2.549(5) .
O10 Sr3 2.752(5) .
O10 Sr2 2.837(5) 1_455
O11 Sr3 2.595(5) .
O12 B5 1.499(9) 1_655
O12 Sr2 2.800(5) .
O12 Sr2 2.802(5) 2_666
O13 B4 1.489(9) 2_566
O13 Sr2 2.523(5) .
O14 B2 1.507(9) 1_455
O14 Sr3 2.706(5) .
O14 Sr2 2.839(5) .
O15 B8 1.382(9) 1_655
O15 B3 1.397(10) 2_666
O15 Sr2 2.536(5) .
O16 B4 1.485(9) 1_554
O16 Sr1 2.585(5) .
O17 Sr3 2.783(5) 1_455
O17 Sr2 2.798(5) 1_455
O18 B2 1.420(10) 2_665
O20 O29 1.37(2) .
O20 O30 1.60(2) .
O20 V5 1.621(11) .
O20 Sr3 2.431(11) 1_554
O21 O30 1.42(2) 2_675
O21 O24 1.632(19) .
O21 V5 1.872(11) 2_675
O21 V5 1.877(10) .
O21 Sr1 2.557(11) 2_675
O22 O28 1.372(17) .
O22 O26 1.726(17) 2_665
O22 V4 1.813(10) .
O22 V4 1.912(10) 2_665
O22 Sr1 2.590(11) .
O23 O27 1.417(19) .
O23 O28 1.65(2) .
O23 V4 1.669(12) .
O23 Sr2 2.456(11) .
O24 V5 1.541(13) .
O24 O29 1.56(2) .
O24 Sr1 2.447(13) 2_675
O26 O27 1.52(2) .
O26 V4 1.556(13) .
O26 O22 1.726(17) 2_665
O26 Sr1 2.517(14) 2_665
O27 V4 1.619(14) .
O27 Sr2 2.692(14) .
O28 V4 1.560(16) .
O28 Sr1 2.530(17) .
O29 V5 1.57(2) .
O29 Sr3 2.77(2) 1_554
O30 O21 1.42(2) 2_675
O30 V5 1.59(2) .
O30 Sr1 2.52(2) .
Sr1 O24 2.447(14) 2_675
Sr1 O26 2.517(14) 2_665
Sr1 O21 2.557(11) 2_675
Sr1 O1 2.559(6) 2_575
Sr1 O4 2.576(6) 2_565
Sr1 B7 3.012(9) 2_565
Sr2 O17 2.798(5) 1_655
Sr2 O12 2.802(5) 2_666
Sr2 O10 2.837(5) 1_655
Sr2 B5 2.978(8) 1_655
Sr3 O20 2.431(11) 1_556
Sr3 O29 2.77(2) 1_556
Sr3 O7 2.781(5) 2_576
Sr3 O17 2.783(5) 1_655
Sr3 O5 2.806(5) 1_455
Sr3 B2 2.967(8) 1_455
V4 O22 1.912(10) 2_665
V4 Sr1 3.8679(19) 2_665
V5 O21 1.872(11) 2_675
V5 Sr1 3.815(2) 2_675
V5 Sr3 3.9166(19) 1_554
