# 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 2103507'
loop_
_audit_author_name
_audit_author_address
'Shijia Sun'
;Qingdao University
China
;
_audit_update_record             
;
2021-08-16 deposited with the CCDC.	2021-09-28 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            'B20 Mg4 O40 Y3.78 Yb0.22'
_chemical_formula_weight         1327.59

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'
Yb Yb -0.3850 5.5486 '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                   8.5147(5)
_cell_length_b                   7.5618(5)
_cell_length_c                   9.3458(5)
_cell_angle_alpha                90
_cell_angle_beta                 93.690(6)
_cell_angle_gamma                90
_cell_volume                     600.50(6)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2093
_cell_measurement_theta_min      3.1313
_cell_measurement_theta_max      29.3918

_exptl_crystal_description       BLOCK
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.671
_exptl_crystal_F_000             631
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1800
_exptl_crystal_size_min          0.1800
_exptl_absorpt_coefficient_mu    10.196
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.54404
_exptl_absorpt_correction_T_max  1.0000
_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            3865
_diffrn_reflns_av_unetI/netI     0.0376
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.138
_diffrn_reflns_theta_max         26.357
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             1230
_reflns_number_gt                1149
_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)+(0.0146P)²+0.6910P] 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       0.250(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1230
_refine_ls_number_parameters     150
_refine_ls_number_restraints     102
_refine_ls_R_factor_all          0.0240
_refine_ls_R_factor_gt           0.0218
_refine_ls_wR_factor_ref         0.0489
_refine_ls_wR_factor_gt          0.0483
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.063
_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
Y1 Y 0.18553(3) 0.18659(4) 0.73946(3) 0.00437(15) Uani 0.946 1 d . U P . .
Yb1 Yb 0.18553(3) 0.18659(4) 0.73946(3) 0.00437(15) Uani 0.054 1 d . U P . .
Mg1 Mg 0.60021(12) 0.40795(15) 0.62797(11) 0.0058(3) Uani 1 1 d . U . . .
B1 B -0.0653(4) 0.3113(5) 0.9105(4) 0.0048(7) Uani 1 1 d . U . . .
B2 B 0.5842(4) 0.0751(5) 0.7430(4) 0.0050(7) Uani 1 1 d . U . . .
B3 B -0.2234(4) 0.0326(5) 0.5548(4) 0.0052(7) Uani 1 1 d . U . . .
B4 B 0.3398(4) -0.1003(5) 0.9939(4) 0.0055(7) Uani 1 1 d . U . . .
B5 B -0.0177(4) 0.1740(5) 0.3955(4) 0.0031(7) Uiso 1 1 d . . . . .
O1 O 0.1767(2) -0.1075(3) 0.5822(2) 0.0052(5) Uani 1 1 d . U . . .
O2 O 0.0456(2) 0.2710(3) 0.5210(2) 0.0050(5) Uani 1 1 d . U . . .
O3 O -0.0094(2) 0.4091(3) 0.8024(2) 0.0057(5) Uani 1 1 d . U . . .
O4 O 0.0058(2) 0.1504(3) 0.9262(2) 0.0051(5) Uani 1 1 d . U . . .
O5 O 0.6860(2) 0.0327(3) 0.8741(2) 0.0049(4) Uani 1 1 d . U . . .
O6 O 0.2569(2) -0.0517(3) 0.8735(2) 0.0060(5) Uani 1 1 d . U . . .
O7 O 0.6816(2) 0.1509(3) 0.6353(2) 0.0053(5) Uani 1 1 d . U . . .
O8 O -0.0841(2) -0.0281(3) 0.6484(2) 0.0053(5) Uani 1 1 d . U . . .
O9 O 0.3184(2) 0.1263(3) 0.4910(2) 0.0054(5) Uani 1 1 d . U . . .
O10 O 0.4636(2) 0.2082(3) 0.7700(2) 0.0043(5) 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 O6 2.255(2) . ?
Y1 O6 2.311(2) 2_556 ?
Y1 O10 2.373(2) . ?
Y1 O2 2.3836(19) . ?
Y1 O4 2.409(2) . ?
Y1 O3 2.461(2) . ?
Y1 O1 2.516(2) 2_556 ?
Y1 O1 2.664(2) . ?
Y1 O9 2.687(2) . ?
Y1 B4 2.709(4) 2_556 ?
Y1 O8 2.894(2) . ?
Y1 B1 2.907(4) . ?
Mg1 O4 2.050(2) 4_665 ?
Mg1 O5 2.051(2) 2_656 ?
Mg1 O7 2.063(3) . ?
Mg1 O4 2.091(2) 2_556 ?
Mg1 O8 2.158(2) 2_556 ?
Mg1 O10 2.365(2) . ?
Mg1 B2 2.744(4) . ?
Mg1 B5 2.823(4) 4_666 ?
Mg1 B4 2.859(4) 4_665 ?
Mg1 B1 2.915(4) 4_665 ?
Mg1 Mg1 3.170(2) 3_666 ?
Mg1 Yb1 3.5046(11) 2_556 ?
B1 O3 1.362(4) . ?
B1 O4 1.363(4) . ?
B1 O9 1.365(4) 4_566 ?
B1 Mg1 2.915(4) 4_566 ?
B2 O3 1.458(4) 2_546 ?
B2 O7 1.462(4) . ?
B2 O10 1.471(4) . ?
B2 O5 1.490(4) . ?
B3 O7 1.449(4) 1_455 ?
B3 O1 1.478(4) 3_556 ?
B3 O9 1.496(4) 3_556 ?
B3 O8 1.500(4) . ?
B3 Yb1 3.245(4) 3_556 ?
B4 O6 1.341(4) . ?
B4 O5 1.366(4) 3_657 ?
B4 O2 1.391(4) 2_546 ?
B4 Y1 2.709(4) 2_546 ?
B4 Yb1 2.709(4) 2_546 ?
B4 Mg1 2.859(4) 4_566 ?
B5 O2 1.457(4) . ?
B5 O1 1.471(4) 3_556 ?
B5 O10 1.473(4) 4_565 ?
B5 O8 1.478(4) 3_556 ?
B5 Mg1 2.823(4) 4_565 ?
B5 Yb1 3.025(3) 4_565 ?
B5 Y1 3.025(3) 4_565 ?
O1 B5 1.471(4) 3_556 ?
O1 B3 1.478(4) 3_556 ?
O1 Yb1 2.516(2) 2_546 ?
O1 Y1 2.516(2) 2_546 ?
O2 B4 1.391(4) 2_556 ?
O3 B2 1.458(4) 2_556 ?
O4 Mg1 2.050(2) 4_566 ?
O4 Mg1 2.091(2) 2_546 ?
O5 B4 1.366(4) 3_657 ?
O5 Mg1 2.051(2) 2_646 ?
O6 Yb1 2.311(2) 2_546 ?
O6 Y1 2.311(2) 2_546 ?
O7 B3 1.449(4) 1_655 ?
O8 B5 1.478(4) 3_556 ?
O8 Mg1 2.158(2) 2_546 ?
O9 B1 1.365(4) 4_665 ?
O9 B3 1.496(4) 3_556 ?
O10 B5 1.473(4) 4_666 ?

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
O6 Y1 O6 151.71(2) . 2_556 ?
O6 Y1 O10 75.94(7) . . ?
O6 Y1 O10 75.91(7) 2_556 . ?
O6 Y1 O2 142.35(8) . . ?
O6 Y1 O2 59.22(7) 2_556 . ?
O10 Y1 O2 121.64(7) . . ?
O6 Y1 O4 70.59(7) . . ?
O6 Y1 O4 126.28(8) 2_556 . ?
O10 Y1 O4 126.59(7) . . ?
O2 Y1 O4 110.19(7) . . ?
O6 Y1 O3 125.09(7) . . ?
O6 Y1 O3 71.94(7) 2_556 . ?
O10 Y1 O3 127.40(7) . . ?
O2 Y1 O3 73.39(7) . . ?
O4 Y1 O3 55.60(7) . . ?
O6 Y1 O1 91.66(7) . 2_556 ?
O6 Y1 O1 70.66(7) 2_556 2_556 ?
O10 Y1 O1 57.19(7) . 2_556 ?
O2 Y1 O1 126.00(7) . 2_556 ?
O4 Y1 O1 83.19(7) . 2_556 ?
O3 Y1 O1 73.22(7) . 2_556 ?
O6 Y1 O1 68.70(7) . . ?
O6 Y1 O1 117.53(7) 2_556 . ?
O10 Y1 O1 96.69(7) . . ?
O2 Y1 O1 75.89(7) . . ?
O4 Y1 O1 107.93(7) . . ?
O3 Y1 O1 134.99(7) . . ?
O1 Y1 O1 151.37(5) 2_556 . ?
O6 Y1 O9 103.37(7) . . ?
O6 Y1 O9 68.71(7) 2_556 . ?
O10 Y1 O9 69.09(7) . . ?
O2 Y1 O9 61.33(7) . . ?
O4 Y1 O9 158.29(7) . . ?
O3 Y1 O9 130.60(7) . . ?
O1 Y1 O9 118.25(7) 2_556 . ?
O1 Y1 O9 51.69(7) . . ?
O6 Y1 B4 157.99(9) . 2_556 ?
O6 Y1 B4 29.64(9) 2_556 2_556 ?
O10 Y1 B4 94.77(9) . 2_556 ?
O2 Y1 B4 30.86(9) . 2_556 ?
O4 Y1 B4 128.99(9) . 2_556 ?
O3 Y1 B4 76.46(9) . 2_556 ?
O1 Y1 B4 100.06(9) 2_556 2_556 ?
O1 Y1 B4 93.12(9) . 2_556 ?
O9 Y1 B4 54.65(9) . 2_556 ?
O6 Y1 O8 84.00(7) . . ?
O6 Y1 O8 122.25(6) 2_556 . ?
O10 Y1 O8 147.21(7) . . ?
O2 Y1 O8 63.60(7) . . ?
O4 Y1 O8 67.69(7) . . ?
O3 Y1 O8 85.37(7) . . ?
O1 Y1 O8 150.37(6) 2_556 . ?
O1 Y1 O8 51.38(6) . . ?
O9 Y1 O8 91.20(6) . . ?
B4 Y1 O8 94.38(9) 2_556 . ?
O6 Y1 B1 97.75(9) . . ?
O6 Y1 B1 99.12(9) 2_556 . ?
O10 Y1 B1 132.43(8) . . ?
O2 Y1 B1 92.28(8) . . ?
O4 Y1 B1 27.76(9) . . ?
O3 Y1 B1 27.85(9) . . ?
O1 Y1 B1 76.27(8) 2_556 . ?
O1 Y1 B1 125.35(8) . . ?
O9 Y1 B1 153.61(8) . . ?
B4 Y1 B1 103.08(10) 2_556 . ?
O8 Y1 B1 75.32(8) . . ?
O4 Mg1 O5 112.70(10) 4_665 2_656 ?
O4 Mg1 O7 86.48(10) 4_665 . ?
O5 Mg1 O7 97.90(10) 2_656 . ?
O4 Mg1 O4 80.11(10) 4_665 2_556 ?
O5 Mg1 O4 87.94(9) 2_656 2_556 ?
O7 Mg1 O4 166.58(10) . 2_556 ?
O4 Mg1 O8 153.32(10) 4_665 2_556 ?
O5 Mg1 O8 91.02(9) 2_656 2_556 ?
O7 Mg1 O8 102.79(9) . 2_556 ?
O4 Mg1 O8 89.11(9) 2_556 2_556 ?
O4 Mg1 O10 101.61(9) 4_665 . ?
O5 Mg1 O10 140.13(9) 2_656 . ?
O7 Mg1 O10 63.64(8) . . ?
O4 Mg1 O10 118.39(9) 2_556 . ?
O8 Mg1 O10 62.32(8) 2_556 . ?
O4 Mg1 B2 97.86(10) 4_665 . ?
O5 Mg1 B2 119.48(10) 2_656 . ?
O7 Mg1 B2 31.55(9) . . ?
O4 Mg1 B2 150.16(10) 2_556 . ?
O8 Mg1 B2 79.54(10) 2_556 . ?
O10 Mg1 B2 32.40(9) . . ?
O4 Mg1 B5 128.83(10) 4_665 4_666 ?
O5 Mg1 B5 118.41(10) 2_656 4_666 ?
O7 Mg1 B5 84.36(10) . 4_666 ?
O4 Mg1 B5 103.54(10) 2_556 4_666 ?
O8 Mg1 B5 31.01(9) 2_556 4_666 ?
O10 Mg1 B5 31.45(8) . 4_666 ?
B2 Mg1 B5 54.70(10) . 4_666 ?
O4 Mg1 B4 87.41(10) 4_665 4_665 ?
O5 Mg1 B4 26.29(9) 2_656 4_665 ?
O7 Mg1 B4 104.24(10) . 4_665 ?
O4 Mg1 B4 75.95(10) 2_556 4_665 ?
O8 Mg1 B4 113.70(10) 2_556 4_665 ?
O10 Mg1 B4 163.96(9) . 4_665 ?
B2 Mg1 B4 133.87(11) . 4_665 ?
B5 Mg1 B4 143.54(11) 4_666 4_665 ?
O4 Mg1 B1 24.89(9) 4_665 4_665 ?
O5 Mg1 B1 130.14(10) 2_656 4_665 ?
O7 Mg1 B1 68.50(10) . 4_665 ?
O4 Mg1 B1 98.51(9) 2_556 4_665 ?
O8 Mg1 B1 138.12(10) 2_556 4_665 ?
O10 Mg1 B1 78.17(9) . 4_665 ?
B2 Mg1 B1 73.58(10) . 4_665 ?
B5 Mg1 B1 108.00(10) 4_666 4_665 ?
B4 Mg1 B1 108.09(10) 4_665 4_665 ?
O4 Mg1 Mg1 40.54(7) 4_665 3_666 ?
O5 Mg1 Mg1 103.05(8) 2_656 3_666 ?
O7 Mg1 Mg1 127.02(8) . 3_666 ?
O4 Mg1 Mg1 39.58(6) 2_556 3_666 ?
O8 Mg1 Mg1 124.58(8) 2_556 3_666 ?
O10 Mg1 Mg1 116.35(7) . 3_666 ?
B2 Mg1 Mg1 131.35(9) . 3_666 ?
B5 Mg1 Mg1 124.05(8) 4_666 3_666 ?
B4 Mg1 Mg1 79.09(8) 4_665 3_666 ?
B1 Mg1 Mg1 60.72(8) 4_665 3_666 ?
O4 Mg1 Yb1 102.39(7) 4_665 2_556 ?
O5 Mg1 Yb1 111.30(7) 2_656 2_556 ?
O7 Mg1 Yb1 142.56(7) . 2_556 ?
O4 Mg1 Yb1 42.25(6) 2_556 2_556 ?
O8 Mg1 Yb1 55.53(6) 2_556 2_556 ?
O10 Mg1 Yb1 78.93(6) . 2_556 ?
B2 Mg1 Yb1 111.10(8) . 2_556 ?
B5 Mg1 Yb1 61.59(7) 4_666 2_556 ?
B4 Mg1 Yb1 112.35(8) 4_665 2_556 ?
B1 Mg1 Yb1 105.84(7) 4_665 2_556 ?
Mg1 Mg1 Yb1 69.54(4) 3_666 2_556 ?
O3 B1 O4 113.0(3) . . ?
O3 B1 O9 121.4(3) . 4_566 ?
O4 B1 O9 125.6(3) . 4_566 ?
O3 B1 Y1 57.58(16) . . ?
O4 B1 Y1 55.39(15) . . ?
O9 B1 Y1 178.7(2) 4_566 . ?
O3 B1 Mg1 130.5(2) . 4_566 ?
O4 B1 Mg1 39.25(13) . 4_566 ?
O9 B1 Mg1 98.48(19) 4_566 4_566 ?
Y1 B1 Mg1 81.91(9) . 4_566 ?
O3 B2 O7 113.2(3) 2_546 . ?
O3 B2 O10 110.0(2) 2_546 . ?
O7 B2 O10 106.4(3) . . ?
O3 B2 O5 105.9(3) 2_546 . ?
O7 B2 O5 109.0(2) . . ?
O10 B2 O5 112.4(3) . . ?
O3 B2 Mg1 135.0(2) 2_546 . ?
O7 B2 Mg1 47.61(15) . . ?
O10 B2 Mg1 59.50(15) . . ?
O5 B2 Mg1 118.6(2) . . ?
O7 B3 O1 113.8(3) 1_455 3_556 ?
O7 B3 O9 109.6(2) 1_455 3_556 ?
O1 B3 O9 103.3(2) 3_556 3_556 ?
O7 B3 O8 109.5(2) 1_455 . ?
O1 B3 O8 112.1(2) 3_556 . ?
O9 B3 O8 108.3(3) 3_556 . ?
O7 B3 Yb1 147.64(19) 1_455 3_556 ?
O1 B3 Yb1 54.16(14) 3_556 3_556 ?
O9 B3 Yb1 55.14(14) 3_556 3_556 ?
O8 B3 Yb1 102.72(18) . 3_556 ?
O6 B4 O5 123.3(3) . 3_657 ?
O6 B4 O2 116.3(3) . 2_546 ?
O5 B4 O2 120.4(3) 3_657 2_546 ?
O6 B4 Y1 58.48(16) . 2_546 ?
O5 B4 Y1 160.1(2) 3_657 2_546 ?
O2 B4 Y1 61.52(15) 2_546 2_546 ?
O6 B4 Yb1 58.48(16) . 2_546 ?
O5 B4 Yb1 160.1(2) 3_657 2_546 ?
O2 B4 Yb1 61.52(15) 2_546 2_546 ?
Y1 B4 Yb1 0.000(14) 2_546 2_546 ?
O6 B4 Mg1 82.87(18) . 4_566 ?
O5 B4 Mg1 41.68(14) 3_657 4_566 ?
O2 B4 Mg1 157.6(2) 2_546 4_566 ?
Y1 B4 Mg1 129.28(12) 2_546 4_566 ?
Yb1 B4 Mg1 129.28(12) 2_546 4_566 ?
O2 B5 O1 110.8(2) . 3_556 ?
O2 B5 O10 110.6(2) . 4_565 ?
O1 B5 O10 105.5(2) 3_556 4_565 ?
O2 B5 O8 114.0(2) . 3_556 ?
O1 B5 O8 110.2(3) 3_556 3_556 ?
O10 B5 O8 105.4(2) 4_565 3_556 ?
O2 B5 Mg1 133.6(2) . 4_565 ?
O1 B5 Mg1 115.68(19) 3_556 4_565 ?
O10 B5 Mg1 56.90(14) 4_565 4_565 ?
O8 B5 Mg1 48.80(13) 3_556 4_565 ?
O2 B5 Yb1 117.84(19) . 4_565 ?
O1 B5 Yb1 55.94(14) 3_556 4_565 ?
O10 B5 Yb1 50.32(13) 4_565 4_565 ?
O8 B5 Yb1 127.81(19) 3_556 4_565 ?
Mg1 B5 Yb1 89.03(9) 4_565 4_565 ?
O2 B5 Y1 117.84(19) . 4_565 ?
O1 B5 Y1 55.94(14) 3_556 4_565 ?
O10 B5 Y1 50.32(13) 4_565 4_565 ?
O8 B5 Y1 127.81(19) 3_556 4_565 ?
Mg1 B5 Y1 89.03(9) 4_565 4_565 ?
Yb1 B5 Y1 0.0 4_565 4_565 ?
B5 O1 B3 123.7(2) 3_556 3_556 ?
B5 O1 Yb1 95.09(17) 3_556 2_546 ?
B3 O1 Yb1 132.15(18) 3_556 2_546 ?
B5 O1 Y1 95.09(17) 3_556 2_546 ?
B3 O1 Y1 132.15(18) 3_556 2_546 ?
Yb1 O1 Y1 0.0 2_546 2_546 ?
B5 O1 Y1 101.59(17) 3_556 . ?
B3 O1 Y1 99.12(18) 3_556 . ?
Yb1 O1 Y1 99.0 2_546 . ?
Y1 O1 Y1 98.96(7) 2_546 . ?
B4 O2 B5 119.8(2) 2_556 . ?
B4 O2 Y1 87.62(17) 2_556 . ?
B5 O2 Y1 133.88(18) . . ?
B1 O3 B2 121.1(3) . 2_556 ?
B1 O3 Y1 94.57(19) . . ?
B2 O3 Y1 143.84(19) 2_556 . ?
B1 O4 Mg1 115.86(19) . 4_566 ?
B1 O4 Mg1 125.07(19) . 2_546 ?
Mg1 O4 Mg1 99.89(10) 4_566 2_546 ?
B1 O4 Y1 96.85(19) . . ?
Mg1 O4 Y1 117.46(9) 4_566 . ?
Mg1 O4 Y1 102.05(9) 2_546 . ?
B4 O5 B2 122.9(3) 3_657 . ?
B4 O5 Mg1 112.03(19) 3_657 2_646 ?
B2 O5 Mg1 124.12(18) . 2_646 ?
B4 O6 Y1 142.5(2) . . ?
B4 O6 Yb1 91.88(19) . 2_546 ?
Y1 O6 Yb1 119.2 . 2_546 ?
B4 O6 Y1 91.88(19) . 2_546 ?
Y1 O6 Y1 119.20(9) . 2_546 ?
Yb1 O6 Y1 0.0 2_546 2_546 ?
B3 O7 B2 118.4(3) 1_655 . ?
B3 O7 Mg1 139.7(2) 1_655 . ?
B2 O7 Mg1 100.83(19) . . ?
B5 O8 B3 121.5(2) 3_556 . ?
B5 O8 Mg1 100.18(17) 3_556 2_546 ?
B3 O8 Mg1 122.43(18) . 2_546 ?
B5 O8 Y1 91.84(16) 3_556 . ?
B3 O8 Y1 125.63(18) . . ?
Mg1 O8 Y1 86.55(7) 2_546 . ?
B1 O9 B3 121.2(3) 4_665 3_556 ?
B1 O9 Y1 141.1(2) 4_665 . ?
B3 O9 Y1 97.68(16) 3_556 . ?
B2 O10 B5 120.7(2) . 4_666 ?
B2 O10 Mg1 88.10(17) . . ?
B5 O10 Mg1 91.66(17) 4_666 . ?
B2 O10 Y1 129.37(18) . . ?
B5 O10 Y1 101.13(17) 4_666 . ?
Mg1 O10 Y1 119.95(9) . . ?

_refine_diff_density_max         0.740
_refine_diff_density_min         -0.537
_refine_diff_density_rms         0.114

