#------------------------------------------------------------------------------
#$Date: 2024-03-23 05:02:31 +0200 (Sat, 23 Mar 2024) $
#$Revision: 290607 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/24/2312437.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312437
loop_
_publ_author_name
'Kuznetsov, Artem B.'
'Kokh, Konstantin A.'
'Gorelova, Liudmila A.'
'Sofich, Dmitry O.'
'Sagatov, Nursultan'
'Gavryushkin, Pavel N.'
'Vereshchagin, Oleg S.'
'Bocharov, Vladimir N.'
'Shevchenko, Vyacheslav S.'
'Kokh, Alexander E.'
_publ_section_title
;
 Growth, crystal structure and IR luminescence of
 KSrY₁₋ₓErₓ(BO₃)₂.
;
_journal_issue                   2
_journal_name_full
'Acta crystallographica Section B, Structural science, crystal engineering and materials'
_journal_paper_doi               10.1107/S205252062400177X
_journal_volume                  80
_journal_year                    2024
_chemical_formula_sum            'B2 K O6 Sr Y'
_chemical_formula_weight         333.25
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 105.390(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.5940(4)
_cell_length_b                   5.3718(3)
_cell_length_c                   8.5241(5)
_cell_measurement_reflns_used    3080
_cell_measurement_temperature    305(2)
_cell_measurement_theta_max      27.992
_cell_measurement_theta_min      3.204
_cell_volume                     291.11(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      305(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type
'XtaLAB Synergy, Single source at home/near, HyPix'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            3080
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.992
_diffrn_reflns_theta_min         3.204
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    19.758
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.802
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    none
_exptl_crystal_description       plate
_exptl_crystal_F_000             308
_refine_diff_density_max         3.868
_refine_diff_density_min         -1.482
_refine_diff_density_rms         0.446
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     58
_refine_ls_number_reflns         751
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.987
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1199P)²+5.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1754
_refine_ls_wR_factor_ref         0.1807
_reflns_Friedel_coverage         0.000
_reflns_number_gt                645
_reflns_number_total             751
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            yh5030sup1.cif
_cod_data_source_block           KSrY_300K-after.cif
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               2312437
_shelx_shelxl_version_number     2018/3
_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'
'-x, -y, -z'
'x, -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
Y1 Y 0.24074(13) 0.750000 0.74611(10) 0.0042(4) Uani 1 2 d S T P . .
Sr1 Sr 0.82258(17) 0.750000 0.95711(13) 0.0115(4) Uani 1 2 d S T P . .
K1 K 0.3325(3) 0.250000 0.4694(3) 0.0042(5) Uani 1 2 d S T P . .
B1 B 0.576(2) 1.250000 0.8484(15) 0.008(2) Uiso 1 2 d S . P . .
B2 B 0.078(2) 0.750000 0.3283(16) 0.008(2) Uani 1 2 d S T P . .
O1 O -0.0102(8) 0.4707(10) 0.7528(6) 0.0112(11) Uani 1 1 d . . . . .
O2 O 0.2497(13) 0.750000 1.0143(9) 0.0129(16) Uani 1 2 d S T P . .
O3 O 0.4996(9) 1.0284(11) 0.7811(7) 0.0168(13) Uani 1 1 d . . . . .
O4 O 0.2082(14) 0.750000 0.4819(9) 0.0153(18) Uani 1 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
B B 0.0013 0.0007 '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'
K K 0.2009 0.2494 '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'
Y Y -2.7962 3.5667 '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
O4 Y1 O3 90.0(2) . . ?
O4 Y1 O3 90.0(2) . 4_575 ?
O3 Y1 O3 84.3(3) . 4_575 ?
O4 Y1 O1 98.8(2) . 4_575 ?
O3 Y1 O1 95.2(2) . 4_575 ?
O3 Y1 O1 171.16(19) 4_575 4_575 ?
O4 Y1 O1 98.8(2) . . ?
O3 Y1 O1 171.16(19) . . ?
O3 Y1 O1 95.2(2) 4_575 . ?
O1 Y1 O1 83.9(3) 4_575 . ?
O4 Y1 O2 176.1(3) . . ?
O3 Y1 O2 92.9(2) . . ?
O3 Y1 O2 92.9(2) 4_575 . ?
O1 Y1 O2 78.3(2) 4_575 . ?
O1 Y1 O2 78.3(2) . . ?
O4 Y1 Sr1 128.2(2) . 1_455 ?
O3 Y1 Sr1 125.63(16) . 1_455 ?
O3 Y1 Sr1 125.63(16) 4_575 1_455 ?
O1 Y1 Sr1 48.16(14) 4_575 1_455 ?
O1 Y1 Sr1 48.17(14) . 1_455 ?
O2 Y1 Sr1 47.9(2) . 1_455 ?
O4 Y1 K1 48.86(7) . 1_565 ?
O3 Y1 K1 49.77(15) . 1_565 ?
O3 Y1 K1 108.72(16) 4_575 1_565 ?
O1 Y1 K1 77.24(14) 4_575 1_565 ?
O1 Y1 K1 137.90(14) . 1_565 ?
O2 Y1 K1 132.18(6) . 1_565 ?
Sr1 Y1 K1 125.39(3) 1_455 1_565 ?
O4 Y1 K1 48.86(7) . . ?
O3 Y1 K1 108.72(16) . . ?
O3 Y1 K1 49.77(15) 4_575 . ?
O1 Y1 K1 137.90(14) 4_575 . ?
O1 Y1 K1 77.24(14) . . ?
O2 Y1 K1 132.18(6) . . ?
Sr1 Y1 K1 125.39(3) 1_455 . ?
K1 Y1 K1 92.18(5) 1_565 . ?
O4 Y1 K1 71.7(2) . 3_566 ?
O3 Y1 K1 134.76(15) . 3_566 ?
O3 Y1 K1 134.76(15) 4_575 3_566 ?
O1 Y1 K1 49.97(14) 4_575 3_566 ?
O1 Y1 K1 49.97(14) . 3_566 ?
O2 Y1 K1 104.3(2) . 3_566 ?
Sr1 Y1 K1 56.48(4) 1_455 3_566 ?
K1 Y1 K1 90.11(4) 1_565 3_566 ?
K1 Y1 K1 90.11(4) . 3_566 ?
O4 Y1 K1 51.8(2) . 3_666 ?
O3 Y1 K1 54.38(16) . 3_666 ?
O3 Y1 K1 54.38(16) 4_575 3_666 ?
O1 Y1 K1 131.83(14) 4_575 3_666 ?
O1 Y1 K1 131.83(14) . 3_666 ?
O2 Y1 K1 132.2(2) . 3_666 ?
Sr1 Y1 K1 179.98(4) 1_455 3_666 ?
K1 Y1 K1 54.60(4) 1_565 3_666 ?
K1 Y1 K1 54.60(4) . 3_666 ?
K1 Y1 K1 123.50(6) 3_566 3_666 ?
O4 Y1 Sr1 107.3(2) . . ?
O3 Y1 Sr1 44.93(15) . . ?
O3 Y1 Sr1 44.93(15) 4_575 . ?
O1 Y1 Sr1 130.50(14) 4_575 . ?
O1 Y1 Sr1 130.50(14) . . ?
O2 Y1 Sr1 76.6(2) . . ?
Sr1 Y1 Sr1 124.50(4) 1_455 . ?
K1 Y1 Sr1 89.22(4) 1_565 . ?
K1 Y1 Sr1 89.22(4) . . ?
K1 Y1 Sr1 179.02(4) 3_566 . ?
K1 Y1 Sr1 55.52(4) 3_666 . ?
O3 Sr1 O3 67.1(2) 4_575 . ?
O3 Sr1 O1 147.59(19) 4_575 2_657 ?
O3 Sr1 O1 111.32(15) . 2_657 ?
O3 Sr1 O1 111.32(15) 4_575 3_667 ?
O3 Sr1 O1 147.59(19) . 3_667 ?
O1 Sr1 O1 51.6(2) 2_657 3_667 ?
O3 Sr1 O2 136.24(16) 4_575 1_655 ?
O3 Sr1 O2 136.24(16) . 1_655 ?
O1 Sr1 O2 68.85(17) 2_657 1_655 ?
O1 Sr1 O2 68.85(17) 3_667 1_655 ?
O3 Sr1 O1 74.67(17) 4_575 1_655 ?
O3 Sr1 O1 109.89(17) . 1_655 ?
O1 Sr1 O1 130.69(9) 2_657 1_655 ?
O1 Sr1 O1 100.13(14) 3_667 1_655 ?
O2 Sr1 O1 62.83(16) 1_655 1_655 ?
O3 Sr1 O1 109.89(17) 4_575 4_675 ?
O3 Sr1 O1 74.67(17) . 4_675 ?
O1 Sr1 O1 100.13(14) 2_657 4_675 ?
O1 Sr1 O1 130.69(9) 3_667 4_675 ?
O2 Sr1 O1 62.83(16) 1_655 4_675 ?
O1 Sr1 O1 66.4(2) 1_655 4_675 ?
O3 Sr1 O2 51.7(2) 4_575 3_667 ?
O3 Sr1 O2 117.3(2) . 3_667 ?
O1 Sr1 O2 113.1(2) 2_657 3_667 ?
O1 Sr1 O2 62.77(19) 3_667 3_667 ?
O2 Sr1 O2 100.32(18) 1_655 3_667 ?
O1 Sr1 O2 68.29(19) 1_655 3_667 ?
O1 Sr1 O2 134.4(2) 4_675 3_667 ?
O3 Sr1 O2 117.3(2) 4_575 3_677 ?
O3 Sr1 O2 51.7(2) . 3_677 ?
O1 Sr1 O2 62.77(19) 2_657 3_677 ?
O1 Sr1 O2 113.1(2) 3_667 3_677 ?
O2 Sr1 O2 100.32(18) 1_655 3_677 ?
O1 Sr1 O2 134.4(2) 1_655 3_677 ?
O1 Sr1 O2 68.29(19) 4_675 3_677 ?
O2 Sr1 O2 155.2(3) 3_667 3_677 ?
O3 Sr1 B1 92.2(3) 4_575 . ?
O3 Sr1 B1 25.4(2) . . ?
O1 Sr1 B1 88.3(2) 2_657 . ?
O1 Sr1 B1 135.5(3) 3_667 . ?
O2 Sr1 B1 118.8(2) 1_655 . ?
O1 Sr1 B1 122.9(3) 1_655 . ?
O1 Sr1 B1 67.1(3) 4_675 . ?
O2 Sr1 B1 140.4(3) 3_667 . ?
O2 Sr1 B1 26.5(3) 3_677 . ?
O3 Sr1 B1 25.4(2) 4_575 1_545 ?
O3 Sr1 B1 92.2(3) . 1_545 ?
O1 Sr1 B1 135.5(3) 2_657 1_545 ?
O1 Sr1 B1 88.3(2) 3_667 1_545 ?
O2 Sr1 B1 118.8(2) 1_655 1_545 ?
O1 Sr1 B1 67.1(3) 1_655 1_545 ?
O1 Sr1 B1 122.9(3) 4_675 1_545 ?
O2 Sr1 B1 26.5(3) 3_667 1_545 ?
O2 Sr1 B1 140.4(3) 3_677 1_545 ?
B1 Sr1 B1 117.0(4) . 1_545 ?
O3 Sr1 B2 133.3(2) 4_575 1_656 ?
O3 Sr1 B2 133.3(2) . 1_656 ?
O1 Sr1 B2 25.85(11) 2_657 1_656 ?
O1 Sr1 B2 25.85(11) 3_667 1_656 ?
O2 Sr1 B2 64.6(3) 1_655 1_656 ?
O1 Sr1 B2 115.9(2) 1_655 1_656 ?
O1 Sr1 B2 115.9(2) 4_675 1_656 ?
O2 Sr1 B2 88.30(17) 3_667 1_656 ?
O2 Sr1 B2 88.30(17) 3_677 1_656 ?
B1 Sr1 B2 113.0(2) . 1_656 ?
B1 Sr1 B2 113.0(2) 1_545 1_656 ?
O4 K1 O4 144.7(4) 1_545 . ?
O4 K1 O3 114.0(2) 1_545 4_575 ?
O4 K1 O3 67.1(2) . 4_575 ?
O4 K1 O3 67.1(2) 1_545 1_545 ?
O4 K1 O3 114.0(2) . 1_545 ?
O3 K1 O3 49.3(2) 4_575 1_545 ?
O4 K1 O1 49.8(2) 1_545 2_546 ?
O4 K1 O1 110.6(2) . 2_546 ?
O3 K1 O1 150.37(19) 4_575 2_546 ?
O3 K1 O1 115.62(14) 1_545 2_546 ?
O4 K1 O1 110.6(2) 1_545 3_566 ?
O4 K1 O1 49.77(19) . 3_566 ?
O3 K1 O1 115.62(14) 4_575 3_566 ?
O3 K1 O1 150.37(19) 1_545 3_566 ?
O1 K1 O1 63.1(2) 2_546 3_566 ?
O4 K1 O4 107.05(18) 1_545 3_666 ?
O4 K1 O4 107.05(18) . 3_666 ?
O3 K1 O4 74.95(18) 4_575 3_666 ?
O3 K1 O4 74.95(18) 1_545 3_666 ?
O1 K1 O4 130.33(16) 2_546 3_666 ?
O1 K1 O4 130.33(17) 3_566 3_666 ?
O4 K1 O3 73.86(19) 1_545 3_666 ?
O4 K1 O3 131.1(2) . 3_666 ?
O3 K1 O3 137.35(11) 4_575 3_666 ?
O3 K1 O3 109.01(14) 1_545 3_666 ?
O1 K1 O3 67.88(16) 2_546 3_666 ?
O1 K1 O3 97.89(17) 3_566 3_666 ?
O4 K1 O3 63.08(17) 3_666 3_666 ?
O4 K1 O3 131.1(2) 1_545 2_646 ?
O4 K1 O3 73.86(19) . 2_646 ?
O3 K1 O3 109.01(14) 4_575 2_646 ?
O3 K1 O3 137.35(11) 1_545 2_646 ?
O1 K1 O3 97.89(17) 2_546 2_646 ?
O1 K1 O3 67.88(16) 3_566 2_646 ?
O4 K1 O3 63.08(17) 3_666 2_646 ?
O3 K1 O3 58.8(2) 3_666 2_646 ?
O4 K1 B1 91.99(18) 1_545 1_545 ?
O4 K1 B1 91.99(18) . 1_545 ?
O3 K1 B1 25.08(12) 4_575 1_545 ?
O3 K1 B1 25.08(12) 1_545 1_545 ?
O1 K1 B1 138.7(2) 2_546 1_545 ?
O1 K1 B1 138.7(2) 3_566 1_545 ?
O4 K1 B1 68.7(3) 3_666 1_545 ?
O3 K1 B1 122.0(2) 3_666 1_545 ?
O3 K1 B1 122.0(2) 2_646 1_545 ?
O4 K1 B2 132.8(3) 1_545 . ?
O4 K1 B2 24.9(3) . . ?
O3 K1 B2 91.9(2) 4_575 . ?
O3 K1 B2 136.8(3) 1_545 . ?
O1 K1 B2 88.2(3) 2_546 . ?
O1 K1 B2 25.4(2) 3_566 . ?
O4 K1 B2 117.8(2) 3_666 . ?
O3 K1 B2 113.4(3) 3_666 . ?
O3 K1 B2 65.1(2) 2_646 . ?
B1 K1 B2 116.6(2) 1_545 . ?
O4 K1 B2 24.9(3) 1_545 1_545 ?
O4 K1 B2 132.8(3) . 1_545 ?
O3 K1 B2 136.8(3) 4_575 1_545 ?
O3 K1 B2 91.9(2) 1_545 1_545 ?
O1 K1 B2 25.4(2) 2_546 1_545 ?
O1 K1 B2 88.2(3) 3_566 1_545 ?
O4 K1 B2 117.8(2) 3_666 1_545 ?
O3 K1 B2 65.1(2) 3_666 1_545 ?
O3 K1 B2 113.4(3) 2_646 1_545 ?
B1 K1 B2 116.6(2) 1_545 1_545 ?
B2 K1 B2 112.8(4) . 1_545 ?
O3 B1 O3 122.4(10) 4_585 . ?
O3 B1 O2 118.7(5) 4_585 3_677 ?
O3 B1 O2 118.7(5) . 3_677 ?
O3 B1 Sr1 167.3(9) 4_585 . ?
O3 B1 Sr1 58.8(4) . . ?
O2 B1 Sr1 60.7(2) 3_677 . ?
O3 B1 Sr1 58.8(4) 4_585 1_565 ?
O3 B1 Sr1 167.3(9) . 1_565 ?
O2 B1 Sr1 60.7(2) 3_677 1_565 ?
Sr1 B1 Sr1 117.0(4) . 1_565 ?
O3 B1 K1 62.9(5) 4_585 1_565 ?
O3 B1 K1 62.9(5) . 1_565 ?
O2 B1 K1 156.8(9) 3_677 1_565 ?
Sr1 B1 K1 112.2(2) . 1_565 ?
Sr1 B1 K1 112.2(2) 1_565 1_565 ?
O3 B1 Sr1 87.7(7) 4_585 3_677 ?
O3 B1 Sr1 87.7(7) . 3_677 ?
O2 B1 Sr1 99.2(7) 3_677 3_677 ?
Sr1 B1 Sr1 104.9(3) . 3_677 ?
Sr1 B1 Sr1 104.9(3) 1_565 3_677 ?
K1 B1 Sr1 104.1(4) 1_565 3_677 ?
O4 B2 O1 121.2(5) . 3_566 ?
O4 B2 O1 121.2(5) . 2_556 ?
O1 B2 O1 117.6(10) 3_566 2_556 ?
O4 B2 Sr1 173.5(9) . 1_454 ?
O1 B2 Sr1 59.0(5) 3_566 1_454 ?
O1 B2 Sr1 59.0(5) 2_556 1_454 ?
O4 B2 K1 60.6(3) . 1_565 ?
O1 B2 K1 165.0(8) 3_566 1_565 ?
O1 B2 K1 62.7(4) 2_556 1_565 ?
Sr1 B2 K1 117.3(2) 1_454 1_565 ?
O4 B2 K1 60.6(3) . . ?
O1 B2 K1 62.7(4) 3_566 . ?
O1 B2 K1 165.0(8) 2_556 . ?
Sr1 B2 K1 117.3(2) 1_454 . ?
K1 B2 K1 112.8(4) 1_565 . ?
O4 B2 K1 84.3(7) . 3_566 ?
O1 B2 K1 93.1(6) 3_566 3_566 ?
O1 B2 K1 93.1(6) 2_556 3_566 ?
Sr1 B2 K1 102.2(4) 1_454 3_566 ?
K1 B2 K1 101.9(3) 1_565 3_566 ?
K1 B2 K1 101.9(3) . 3_566 ?
B2 O1 Y1 134.6(6) 3_566 . ?
B2 O1 Sr1 95.2(5) 3_566 3_667 ?
Y1 O1 Sr1 98.84(18) . 3_667 ?
B2 O1 Sr1 130.8(6) 3_566 1_455 ?
Y1 O1 Sr1 94.23(19) . 1_455 ?
Sr1 O1 Sr1 79.87(14) 3_667 1_455 ?
B2 O1 K1 91.9(5) 3_566 3_566 ?
Y1 O1 K1 93.18(18) . 3_566 ?
Sr1 O1 K1 154.9(2) 3_667 3_566 ?
Sr1 O1 K1 77.33(15) 1_455 3_566 ?
B1 O2 Y1 129.4(7) 3_677 . ?
B1 O2 Sr1 136.6(7) 3_677 1_455 ?
Y1 O2 Sr1 94.0(3) . 1_455 ?
B1 O2 Sr1 92.8(2) 3_677 3_667 ?
Y1 O2 Sr1 97.48(16) . 3_667 ?
Sr1 O2 Sr1 79.68(18) 1_455 3_667 ?
B1 O2 Sr1 92.8(2) 3_677 3_677 ?
Y1 O2 Sr1 97.48(16) . 3_677 ?
Sr1 O2 Sr1 79.68(18) 1_455 3_677 ?
Sr1 O2 Sr1 155.2(3) 3_667 3_677 ?
B1 O3 Y1 145.9(7) . . ?
B1 O3 Sr1 95.9(6) . . ?
Y1 O3 Sr1 99.5(2) . . ?
B1 O3 K1 92.0(5) . 1_565 ?
Y1 O3 K1 93.60(19) . 1_565 ?
Sr1 O3 K1 143.1(2) . 1_565 ?
B1 O3 K1 124.3(7) . 3_666 ?
Y1 O3 K1 89.12(19) . 3_666 ?
Sr1 O3 K1 74.83(15) . 3_666 ?
K1 O3 K1 70.99(14) 1_565 3_666 ?
B2 O4 Y1 148.0(8) . . ?
B2 O4 K1 94.5(3) . 1_565 ?
Y1 O4 K1 95.05(17) . 1_565 ?
B2 O4 K1 94.5(3) . . ?
Y1 O4 K1 95.05(17) . . ?
K1 O4 K1 144.7(3) 1_565 . ?
B2 O4 K1 119.8(7) . 3_666 ?
Y1 O4 K1 92.2(3) . 3_666 ?
K1 O4 K1 72.95(18) 1_565 3_666 ?
K1 O4 K1 72.95(18) . 3_666 ?
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
Y1 O4 2.205(8) . ?
Y1 O3 2.229(6) . ?
Y1 O3 2.229(5) 4_575 ?
Y1 O1 2.246(5) 4_575 ?
Y1 O1 2.246(5) . ?
Y1 O2 2.271(7) . ?
Y1 Sr1 3.6702(14) 1_455 ?
Y1 K1 3.7283(16) 1_565 ?
Y1 K1 3.7283(16) . ?
Y1 K1 3.739(2) 3_566 ?
Y1 K1 3.747(2) 3_666 ?
Y1 Sr1 3.7806(14) . ?
Sr1 O3 2.707(6) 4_575 ?
Sr1 O3 2.707(6) . ?
Sr1 O1 2.725(5) 2_657 ?
Sr1 O1 2.725(5) 3_667 ?
Sr1 O2 2.728(9) 1_655 ?
Sr1 O1 2.742(6) 1_655 ?
Sr1 O1 2.742(6) 4_675 ?
Sr1 O2 2.7499(19) 3_667 ?
Sr1 O2 2.7499(18) 3_677 ?
Sr1 B1 3.150(7) . ?
Sr1 B1 3.150(7) 1_545 ?
Sr1 B2 3.166(14) 1_656 ?
K1 O4 2.819(3) 1_545 ?
K1 O4 2.819(3) . ?
K1 O3 2.852(6) 4_575 ?
K1 O3 2.852(6) 1_545 ?
K1 O1 2.867(6) 2_546 ?
K1 O1 2.867(6) 3_566 ?
K1 O4 2.946(9) 3_666 ?
K1 O3 3.046(6) 3_666 ?
K1 O3 3.046(6) 2_646 ?
K1 B1 3.202(13) 1_545 ?
K1 B2 3.225(8) . ?
K1 B2 3.225(8) 1_545 ?
B1 O3 1.358(8) 4_585 ?
B1 O3 1.358(8) . ?
B1 O2 1.407(15) 3_677 ?
B2 O4 1.361(15) . ?
B2 O1 1.386(8) 3_566 ?
B2 O1 1.386(8) 2_556 ?

_cod_database_fobs_code 2312437
