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

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

data_1
_database_code_depnum_ccdc_archive 'CCDC 2042453'
loop_
_audit_author_name
_audit_author_address
'Shijia Sun'
;Qingdao University
China
;
_audit_update_record             
;
2020-11-04 deposited with the CCDC.	2020-12-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B5 Mg O10 Y'
_chemical_formula_weight         327.27

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'
Mg Mg 0.0486 0.0363 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.5155(7)
_cell_length_b                   7.5587(6)
_cell_length_c                   9.3579(8)
_cell_angle_alpha                90
_cell_angle_beta                 93.631(8)
_cell_angle_gamma                90
_cell_volume                     601.12(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2080
_cell_measurement_theta_min      3.1308
_cell_measurement_theta_max      29.3821

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.616
_exptl_crystal_F_000             624
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_exptl_absorpt_coefficient_mu    9.864
_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      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4188
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         3.137
_diffrn_reflns_theta_max         27.097
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1320
_reflns_number_gt                1225
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_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)+(0.0438P)²+0.0093P] 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     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.720(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1320
_refine_ls_number_parameters     150
_refine_ls_number_restraints     72
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0772
_refine_ls_wR_factor_gt          0.0753
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_restrained_S_all      1.095
_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
Y1 Y 0.18548(4) 0.18649(4) 0.23903(4) 0.0025(2) Uani 1 1 d . U . . .
Mg1 Mg 0.10048(14) 0.09165(15) 0.62785(14) 0.0042(3) Uani 1 1 d . . . . .
O10 O 0.4638(3) 0.2086(3) 0.2691(3) 0.0020(5) Uiso 1 1 d . . . . .
O9 O -0.0843(3) -0.0275(3) 0.1484(3) 0.0033(5) Uani 1 1 d . U . . .
O8 O 0.1812(3) 0.3495(3) 0.6350(3) 0.0036(5) Uani 1 1 d . . . . .
O7 O 0.3185(3) 0.1276(3) -0.0093(3) 0.0038(5) Uani 1 1 d . . . . .
O6 O 0.0458(3) 0.2713(3) 0.0208(3) 0.0037(6) Uani 1 1 d . U . . .
O5 O 0.0050(3) 0.1498(3) 0.4267(3) 0.0036(6) Uani 1 1 d . U . . .
O4 O -0.0095(3) 0.4101(3) 0.3033(3) 0.0036(5) Uani 1 1 d . U . . .
O3 O 0.3142(3) -0.0332(3) 0.6267(3) 0.0037(5) Uani 1 1 d . U . . .
O2 O 0.2568(3) -0.0510(3) 0.3736(3) 0.0037(6) Uani 1 1 d . . . . .
O1 O 0.1764(3) -0.1073(3) 0.0825(3) 0.0041(5) Uani 1 1 d . U . . .
B5 B -0.0178(5) 0.1741(5) -0.1048(5) 0.0030(8) Uani 1 1 d . U . . .
B4 B 0.0843(5) 0.4243(5) 0.7425(5) 0.0035(8) Uani 1 1 d . U . . .
B3 B -0.0657(5) 0.3105(5) 0.4111(5) 0.0039(9) Uani 1 1 d . U . . .
B2 B -0.2230(5) 0.0315(5) 0.0548(5) 0.0037(8) Uani 1 1 d . U . . .
B1 B 0.1599(5) 0.3997(5) 0.0055(5) 0.0034(8) 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
Y1 O2 2.254(2) . ?
Y1 O2 2.314(2) 2 ?
Y1 O10 2.375(3) . ?
Y1 O6 2.385(2) . ?
Y1 O5 2.422(3) . ?
Y1 O4 2.470(2) . ?
Y1 O1 2.521(3) 2 ?
Y1 O1 2.659(3) . ?
Y1 O7 2.686(3) . ?
Y1 B1 2.713(4) . ?
Y1 O9 2.892(2) . ?
Y1 B3 2.913(4) . ?
Mg1 O3 2.051(3) . ?
Mg1 O5 2.051(3) . ?
Mg1 O8 2.066(3) . ?
Mg1 O5 2.083(3) 3_556 ?
Mg1 O9 2.162(3) 3_556 ?
Mg1 O10 2.361(3) 4_566 ?
Mg1 B4 2.741(4) . ?
Mg1 B5 2.825(5) 1_556 ?
Mg1 B1 2.855(4) 2_545 ?
Mg1 B3 2.913(5) . ?
Mg1 Mg1 3.171(3) 3_556 ?
Mg1 Y1 3.5051(13) 3_556 ?
O10 B4 1.468(5) 4_665 ?
O10 B5 1.477(5) 4_666 ?
O10 Mg1 2.361(3) 4_665 ?
O9 B5 1.482(5) 3 ?
O9 B2 1.494(5) . ?
O9 Mg1 2.162(3) 3_556 ?
O8 B2 1.455(5) 4_666 ?
O8 B4 1.456(5) . ?
O7 B3 1.356(5) 4_665 ?
O7 B2 1.498(5) 3 ?
O6 B1 1.387(5) . ?
O6 B5 1.461(5) . ?
O5 B3 1.359(5) . ?
O5 Mg1 2.083(3) 3_556 ?
O4 B3 1.369(5) . ?
O4 B4 1.456(5) 3_566 ?
O3 B1 1.368(5) 2_545 ?
O3 B4 1.488(5) 2_546 ?
O2 B1 1.349(5) 2_545 ?
O2 Y1 2.314(2) 2_545 ?
O1 B5 1.469(5) 3 ?
O1 B2 1.483(5) 3 ?
O1 Y1 2.521(3) 2_545 ?
B5 O1 1.469(5) 3 ?
B5 O10 1.477(5) 4_565 ?
B5 O9 1.482(5) 3 ?
B5 Mg1 2.825(5) 1_554 ?
B5 Y1 3.027(5) 4_565 ?
B4 O4 1.456(5) 3_566 ?
B4 O10 1.468(5) 4_566 ?
B4 O3 1.488(5) 2_556 ?
B3 O7 1.356(5) 4_566 ?
B2 O8 1.455(5) 4_565 ?
B2 O1 1.483(5) 3 ?
B2 O7 1.498(5) 3 ?
B1 O2 1.349(5) 2 ?
B1 O3 1.368(5) 2 ?
B1 Mg1 2.855(4) 2 ?

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 Y1 O2 151.63(3) . 2 ?
O2 Y1 O10 76.00(8) . . ?
O2 Y1 O10 75.80(8) 2 . ?
O2 Y1 O6 142.64(9) . . ?
O2 Y1 O6 59.21(9) 2 . ?
O10 Y1 O6 121.49(9) . . ?
O2 Y1 O5 70.42(9) . . ?
O2 Y1 O5 126.24(9) 2 . ?
O10 Y1 O5 126.63(9) . . ?
O6 Y1 O5 110.27(8) . . ?
O2 Y1 O4 124.78(9) . . ?
O2 Y1 O4 71.91(8) 2 . ?
O10 Y1 O4 127.17(8) . . ?
O6 Y1 O4 73.62(9) . . ?
O5 Y1 O4 55.56(8) . . ?
O2 Y1 O1 91.39(9) . 2 ?
O2 Y1 O1 70.61(9) 2 2 ?
O10 Y1 O1 57.16(8) . 2 ?
O6 Y1 O1 125.97(8) . 2 ?
O5 Y1 O1 83.18(8) . 2 ?
O4 Y1 O1 73.03(8) . 2 ?
O2 Y1 O1 68.91(9) . . ?
O2 Y1 O1 117.69(9) 2 . ?
O10 Y1 O1 96.78(8) . . ?
O6 Y1 O1 75.96(9) . . ?
O5 Y1 O1 107.84(8) . . ?
O4 Y1 O1 135.16(8) . . ?
O1 Y1 O1 151.36(5) 2 . ?
O2 Y1 O7 103.77(9) . . ?
O2 Y1 O7 68.57(8) 2 . ?
O10 Y1 O7 69.01(8) . . ?
O6 Y1 O7 61.22(8) . . ?
O5 Y1 O7 158.46(9) . . ?
O4 Y1 O7 130.59(8) . . ?
O1 Y1 O7 118.11(8) 2 . ?
O1 Y1 O7 51.98(8) . . ?
O2 Y1 B1 158.16(11) . . ?
O2 Y1 B1 29.80(11) 2 . ?
O10 Y1 B1 94.72(11) . . ?
O6 Y1 B1 30.72(11) . . ?
O5 Y1 B1 129.03(11) . . ?
O4 Y1 B1 76.63(11) . . ?
O1 Y1 B1 100.18(11) 2 . ?
O1 Y1 B1 93.11(10) . . ?
O7 Y1 B1 54.42(10) . . ?
O2 Y1 O9 84.23(8) . . ?
O2 Y1 O9 122.25(8) 2 . ?
O10 Y1 O9 147.37(8) . . ?
O6 Y1 O9 63.62(8) . . ?
O5 Y1 O9 67.65(8) . . ?
O4 Y1 O9 85.44(8) . . ?
O1 Y1 O9 150.30(8) 2 . ?
O1 Y1 O9 51.43(7) . . ?
O7 Y1 O9 91.40(7) . . ?
B1 Y1 O9 94.26(10) . . ?
O2 Y1 B3 97.40(11) . . ?
O2 Y1 B3 99.23(10) 2 . ?
O10 Y1 B3 132.39(11) . . ?
O6 Y1 B3 92.46(11) . . ?
O5 Y1 B3 27.60(10) . . ?
O4 Y1 B3 27.96(10) . . ?
O1 Y1 B3 76.27(10) 2 . ?
O1 Y1 B3 125.22(10) . . ?
O7 Y1 B3 153.68(11) . . ?
B1 Y1 B3 103.29(12) . . ?
O9 Y1 B3 75.21(10) . . ?
O3 Mg1 O5 113.23(12) . . ?
O3 Mg1 O8 98.08(11) . . ?
O5 Mg1 O8 86.52(11) . . ?
O3 Mg1 O5 87.96(11) . 3_556 ?
O5 Mg1 O5 79.83(12) . 3_556 ?
O8 Mg1 O5 166.34(12) . 3_556 ?
O3 Mg1 O9 90.74(11) . 3_556 ?
O5 Mg1 O9 153.03(12) . 3_556 ?
O8 Mg1 O9 102.80(11) . 3_556 ?
O5 Mg1 O9 89.29(11) 3_556 3_556 ?
O3 Mg1 O10 140.01(12) . 4_566 ?
O5 Mg1 O10 101.30(11) . 4_566 ?
O8 Mg1 O10 63.48(10) . 4_566 ?
O5 Mg1 O10 118.51(11) 3_556 4_566 ?
O9 Mg1 O10 62.44(10) 3_556 4_566 ?
O3 Mg1 B4 119.40(12) . . ?
O5 Mg1 B4 97.80(12) . . ?
O8 Mg1 B4 31.45(11) . . ?
O5 Mg1 B4 150.23(12) 3_556 . ?
O9 Mg1 B4 79.56(12) 3_556 . ?
O10 Mg1 B4 32.37(10) 4_566 . ?
O3 Mg1 B5 118.18(13) . 1_556 ?
O5 Mg1 B5 128.53(13) . 1_556 ?
O8 Mg1 B5 84.25(11) . 1_556 ?
O5 Mg1 B5 103.75(11) 3_556 1_556 ?
O9 Mg1 B5 31.09(11) 3_556 1_556 ?
O10 Mg1 B5 31.50(10) 4_566 1_556 ?
B4 Mg1 B5 54.64(12) . 1_556 ?
O3 Mg1 B1 26.45(12) . 2_545 ?
O5 Mg1 B1 87.74(12) . 2_545 ?
O8 Mg1 B1 104.36(12) . 2_545 ?
O5 Mg1 B1 75.91(11) 3_556 2_545 ?
O9 Mg1 B1 113.61(12) 3_556 2_545 ?
O10 Mg1 B1 163.94(12) 4_566 2_545 ?
B4 Mg1 B1 133.84(12) . 2_545 ?
B5 Mg1 B1 143.51(14) 1_556 2_545 ?
O3 Mg1 B3 130.52(12) . . ?
O5 Mg1 B3 24.81(11) . . ?
O8 Mg1 B3 68.47(12) . . ?
O5 Mg1 B3 98.30(11) 3_556 . ?
O9 Mg1 B3 138.03(12) 3_556 . ?
O10 Mg1 B3 77.98(11) 4_566 . ?
B4 Mg1 B3 73.58(12) . . ?
B5 Mg1 B3 107.86(13) 1_556 . ?
B1 Mg1 B3 108.27(13) 2_545 . ?
O3 Mg1 Mg1 103.40(9) . 3_556 ?
O5 Mg1 Mg1 40.29(8) . 3_556 ?
O8 Mg1 Mg1 126.81(11) . 3_556 ?
O5 Mg1 Mg1 39.54(8) 3_556 3_556 ?
O9 Mg1 Mg1 124.63(9) 3_556 3_556 ?
O10 Mg1 Mg1 116.12(9) 4_566 3_556 ?
B4 Mg1 Mg1 131.16(11) . 3_556 ?
B5 Mg1 Mg1 123.99(11) 1_556 3_556 ?
B1 Mg1 Mg1 79.31(10) 2_545 3_556 ?
B3 Mg1 Mg1 60.51(9) . 3_556 ?
O3 Mg1 Y1 111.26(8) . 3_556 ?
O5 Mg1 Y1 102.17(8) . 3_556 ?
O8 Mg1 Y1 142.32(9) . 3_556 ?
O5 Mg1 Y1 42.53(7) 3_556 3_556 ?
O9 Mg1 Y1 55.45(7) 3_556 3_556 ?
O10 Mg1 Y1 78.84(7) 4_566 3_556 ?
B4 Mg1 Y1 110.96(9) . 3_556 ?
B5 Mg1 Y1 61.50(8) 1_556 3_556 ?
B1 Mg1 Y1 112.48(9) 2_545 3_556 ?
B3 Mg1 Y1 105.68(9) . 3_556 ?
Mg1 Mg1 Y1 69.65(4) 3_556 3_556 ?
B4 O10 B5 120.4(3) 4_665 4_666 ?
B4 O10 Mg1 88.2(2) 4_665 4_665 ?
B5 O10 Mg1 91.9(2) 4_666 4_665 ?
B4 O10 Y1 129.4(2) 4_665 . ?
B5 O10 Y1 101.0(2) 4_666 . ?
Mg1 O10 Y1 120.14(11) 4_665 . ?
B5 O9 B2 121.2(3) 3 . ?
B5 O9 Mg1 100.0(2) 3 3_556 ?
B2 O9 Mg1 122.6(2) . 3_556 ?
B5 O9 Y1 91.7(2) 3 . ?
B2 O9 Y1 126.1(2) . . ?
Mg1 O9 Y1 86.55(9) 3_556 . ?
B2 O8 B4 118.5(3) 4_666 . ?
B2 O8 Mg1 139.7(2) 4_666 . ?
B4 O8 Mg1 100.8(2) . . ?
B3 O7 B2 121.4(3) 4_665 3 ?
B3 O7 Y1 141.2(2) 4_665 . ?
B2 O7 Y1 97.4(2) 3 . ?
B1 O6 B5 119.7(3) . . ?
B1 O6 Y1 87.8(2) . . ?
B5 O6 Y1 133.9(2) . . ?
B3 O5 Mg1 115.9(2) . . ?
B3 O5 Mg1 125.2(2) . 3_556 ?
Mg1 O5 Mg1 100.17(12) . 3_556 ?
B3 O5 Y1 96.7(2) . . ?
Mg1 O5 Y1 117.20(12) . . ?
Mg1 O5 Y1 101.90(11) 3_556 . ?
B3 O4 B4 121.5(3) . 3_566 ?
B3 O4 Y1 94.3(2) . . ?
B4 O4 Y1 143.6(2) 3_566 . ?
B1 O3 B4 123.0(3) 2_545 2_546 ?
B1 O3 Mg1 111.7(2) 2_545 . ?
B4 O3 Mg1 124.4(2) 2_546 . ?
B1 O2 Y1 142.9(2) 2_545 . ?
B1 O2 Y1 91.7(2) 2_545 2_545 ?
Y1 O2 Y1 119.06(12) . 2_545 ?
B5 O1 B2 123.7(3) 3 3 ?
B5 O1 Y1 95.1(2) 3 2_545 ?
B2 O1 Y1 132.3(2) 3 2_545 ?
B5 O1 Y1 101.76(19) 3 . ?
B2 O1 Y1 98.9(2) 3 . ?
Y1 O1 Y1 98.94(9) 2_545 . ?
O6 B5 O1 110.9(3) . 3 ?
O6 B5 O10 110.9(3) . 4_565 ?
O1 B5 O10 105.5(3) 3 4_565 ?
O6 B5 O9 113.8(3) . 3 ?
O1 B5 O9 110.1(3) 3 3 ?
O10 B5 O9 105.2(3) 4_565 3 ?
O6 B5 Mg1 133.5(3) . 1_554 ?
O1 B5 Mg1 115.6(2) 3 1_554 ?
O10 B5 Mg1 56.65(18) 4_565 1_554 ?
O9 B5 Mg1 48.88(17) 3 1_554 ?
O6 B5 Y1 118.0(2) . 4_565 ?
O1 B5 Y1 56.04(18) 3 4_565 ?
O10 B5 Y1 50.36(17) 4_565 4_565 ?
O9 B5 Y1 127.8(3) 3 4_565 ?
Mg1 B5 Y1 89.00(13) 1_554 4_565 ?
O8 B4 O4 112.8(3) . 3_566 ?
O8 B4 O10 106.5(3) . 4_566 ?
O4 B4 O10 109.9(3) 3_566 4_566 ?
O8 B4 O3 109.1(3) . 2_556 ?
O4 B4 O3 106.1(3) 3_566 2_556 ?
O10 B4 O3 112.6(3) 4_566 2_556 ?
O8 B4 Mg1 47.77(16) . . ?
O4 B4 Mg1 134.8(3) 3_566 . ?
O10 B4 Mg1 59.44(17) 4_566 . ?
O3 B4 Mg1 118.6(2) 2_556 . ?
O7 B3 O5 125.6(4) 4_566 . ?
O7 B3 O4 121.0(3) 4_566 . ?
O5 B3 O4 113.4(3) . . ?
O7 B3 Y1 178.6(3) 4_566 . ?
O5 B3 Y1 55.66(18) . . ?
O4 B3 Y1 57.75(18) . . ?
O7 B3 Mg1 98.7(3) 4_566 . ?
O5 B3 Mg1 39.28(18) . . ?
O4 B3 Mg1 130.4(3) . . ?
Y1 B3 Mg1 82.00(11) . . ?
O8 B2 O1 113.4(3) 4_565 3 ?
O8 B2 O9 109.3(3) 4_565 . ?
O1 B2 O9 112.2(3) 3 . ?
O8 B2 O7 109.4(3) 4_565 3 ?
O1 B2 O7 103.5(3) 3 3 ?
O9 B2 O7 108.8(3) . 3 ?
O2 B1 O3 123.3(3) 2 2 ?
O2 B1 O6 116.2(3) 2 . ?
O3 B1 O6 120.5(4) 2 . ?
O2 B1 Y1 58.51(18) 2 . ?
O3 B1 Y1 160.0(3) 2 . ?
O6 B1 Y1 61.45(19) . . ?
O2 B1 Mg1 82.7(2) 2 2 ?
O3 B1 Mg1 41.88(17) 2 2 ?
O6 B1 Mg1 157.8(3) . 2 ?
Y1 B1 Mg1 129.12(16) . 2 ?

_refine_diff_density_max         1.088
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.172

