# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 1982804'
loop_
_audit_author_name
_audit_author_address
'Shijia Sun'
;Qingdao University
China
;
_audit_update_record             
;
2020-02-08 deposited with the CCDC.	2020-04-08 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 Gd0.99 Mg Nd0.01 O10'
_chemical_formula_weight         395.51

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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 '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                   8.5785(8)
_cell_length_b                   7.5601(6)
_cell_length_c                   9.3721(7)
_cell_angle_alpha                90
_cell_angle_beta                 93.162(7)
_cell_angle_gamma                90
_cell_volume                     606.90(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1576
_cell_measurement_theta_min      3.1220
_cell_measurement_theta_max      32.8210

_exptl_crystal_description       block
_exptl_crystal_colour            purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.329
_exptl_crystal_F_000             724
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20000
_exptl_crystal_size_mid          0.20000
_exptl_crystal_size_min          0.20000
_exptl_absorpt_coefficient_mu    11.070
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.35651
_exptl_absorpt_correction_T_max  1.00000
_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            2260
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_theta_min         3.134
_diffrn_reflns_theta_max         27.101
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1335
_reflns_number_gt                1259
_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)+(0.0412P)²+1.2909P] 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       0.272(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1335
_refine_ls_number_parameters     155
_refine_ls_number_restraints     108
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0308
_refine_ls_wR_factor_ref         0.0816
_refine_ls_wR_factor_gt          0.0788
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.123
_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
Gd1 Gd 0.81484(3) 0.18722(4) 0.76345(3) 0.0047(2) Uani 0.993 1 d . U P . .
Nd1 Nd 0.81484(3) 0.18722(4) 0.76345(3) 0.0047(2) Uani 0.007 1 d . U P . .
Mg1 Mg 0.3959(3) 0.4101(3) 0.8745(2) 0.0073(4) Uani 1 1 d . U . . .
B1 B 1.0662(9) 0.3122(8) 0.5875(8) 0.0057(14) Uani 1 1 d . U . . .
B2 B 0.2214(8) 0.0321(9) 0.9474(7) 0.0071(12) Uani 1 1 d . U . . .
B3 B 0.9843(9) -0.1715(8) 0.8920(8) 0.0041(13) Uani 1 1 d . U . . .
B4 B 0.6551(8) -0.0969(9) 0.4999(7) 0.0064(12) Uani 1 1 d . U . . .
B5 B 1.0842(8) 0.5775(9) 0.7373(7) 0.0070(13) Uani 1 1 d . U . . .
O10 O 0.7368(5) -0.0452(6) 0.6189(5) 0.0079(9) Uani 1 1 d . U . . .
O9 O 0.5329(6) 0.2147(6) 0.7352(5) 0.0059(9) Uani 1 1 d . U . . .
O8 O 0.3174(5) 0.1518(6) 0.8706(5) 0.0060(8) Uani 1 1 d . U . . .
O7 O 0.8259(5) -0.1050(6) 0.9149(4) 0.0065(9) Uani 1 1 d . U . . .
O6 O 1.0857(5) -0.0267(5) 0.8524(5) 0.0073(9) Uani 1 1 d . U . . .
O5 O 0.6854(5) 0.1290(6) 1.0082(4) 0.0056(8) Uani 1 1 d . U . . .
O4 O 0.9593(5) 0.2746(6) 0.9833(4) 0.0059(8) Uani 1 1 d . U . . .
O3 O 0.3165(5) 0.0356(6) 0.6322(5) 0.0065(8) Uani 1 1 d . U . . .
O2 O 1.0085(5) 0.4140(6) 0.6916(5) 0.0073(8) Uani 1 1 d . U . . .
O1 O 0.9976(5) 0.1491(6) 0.5729(5) 0.0064(9) 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
Gd1 O10 2.296(4) . ?
Gd1 O10 2.357(4) 2_656 ?
Gd1 O9 2.428(5) . ?
Gd1 O4 2.436(4) . ?
Gd1 O1 2.457(5) . ?
Gd1 O2 2.506(4) . ?
Gd1 O7 2.549(4) 2_656 ?
Gd1 O7 2.625(4) . ?
Gd1 O5 2.640(4) . ?
Gd1 B4 2.754(7) 2_656 ?
Gd1 O6 2.914(4) . ?
Gd1 B1 2.942(8) . ?
Mg1 O3 2.052(5) 2_556 ?
Mg1 O1 2.060(5) 4_566 ?
Mg1 O8 2.065(5) . ?
Mg1 O1 2.072(5) 2_656 ?
Mg1 O6 2.193(5) 2_656 ?
Mg1 O9 2.331(6) . ?
Mg1 B5 2.733(7) 2_646 ?
Mg1 B4 2.813(7) 4_566 ?
Mg1 B3 2.821(8) 2_656 ?
Mg1 Mg1 3.180(4) 3_667 ?
Mg1 Gd1 3.546(2) 2_656 ?
Mg1 Nd1 3.546(2) 2_656 ?
B1 O2 1.357(9) . ?
B1 O1 1.370(7) . ?
B1 O5 1.371(9) 4_665 ?
B2 O8 1.443(8) . ?
B2 O7 1.480(8) 3_657 ?
B2 O6 1.494(7) 1_455 ?
B2 O5 1.503(7) 3_657 ?
B3 O6 1.459(8) . ?
B3 O4 1.464(7) 3_757 ?
B3 O9 1.471(8) 2_646 ?
B3 O7 1.476(8) . ?
B3 Mg1 2.821(8) 2_646 ?
B3 Nd1 3.072(7) 2_646 ?
B3 Gd1 3.072(7) 2_646 ?
B4 O10 1.342(7) . ?
B4 O3 1.357(8) 3_656 ?
B4 O4 1.396(8) 2_646 ?
B4 Gd1 2.754(7) 2_646 ?
B4 Nd1 2.754(7) 2_646 ?
B4 Mg1 2.813(7) 4_665 ?
B5 O2 1.450(7) . ?
B5 O8 1.464(8) 2_656 ?
B5 O9 1.477(8) 2_656 ?
B5 O3 1.485(7) 2_656 ?
B5 Mg1 2.733(7) 2_656 ?
O10 Nd1 2.357(4) 2_646 ?
O10 Gd1 2.357(4) 2_646 ?
O9 B3 1.471(8) 2_656 ?
O9 B5 1.477(8) 2_646 ?
O8 B5 1.464(8) 2_646 ?
O7 B2 1.480(8) 3_657 ?
O7 Nd1 2.549(4) 2_646 ?
O7 Gd1 2.549(4) 2_646 ?
O6 B2 1.494(7) 1_655 ?
O6 Mg1 2.193(5) 2_646 ?
O5 B1 1.371(9) 4_566 ?
O5 B2 1.503(7) 3_657 ?
O4 B4 1.396(8) 2_656 ?
O4 B3 1.464(7) 3_757 ?
O3 B4 1.357(8) 3_656 ?
O3 B5 1.485(7) 2_646 ?
O3 Mg1 2.052(5) 2_546 ?
O1 Mg1 2.060(5) 4_665 ?
O1 Mg1 2.072(5) 2_646 ?

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
O10 Gd1 O10 151.22(5) . 2_656 ?
O10 Gd1 O9 75.21(16) . . ?
O10 Gd1 O9 76.46(15) 2_656 . ?
O10 Gd1 O4 145.56(14) . . ?
O10 Gd1 O4 58.11(14) 2_656 . ?
O9 Gd1 O4 121.76(16) . . ?
O10 Gd1 O1 70.03(16) . . ?
O10 Gd1 O1 125.76(16) 2_656 . ?
O9 Gd1 O1 127.04(15) . . ?
O4 Gd1 O1 109.34(15) . . ?
O10 Gd1 O2 122.77(15) . . ?
O10 Gd1 O2 71.52(15) 2_656 . ?
O9 Gd1 O2 125.70(15) . . ?
O4 Gd1 O2 74.21(15) . . ?
O1 Gd1 O2 54.95(14) . . ?
O10 Gd1 O7 88.43(14) . 2_656 ?
O10 Gd1 O7 71.55(14) 2_656 2_656 ?
O9 Gd1 O7 56.12(15) . 2_656 ?
O4 Gd1 O7 126.01(13) . 2_656 ?
O1 Gd1 O7 83.90(14) . 2_656 ?
O2 Gd1 O7 72.49(14) . 2_656 ?
O10 Gd1 O7 71.07(14) . . ?
O10 Gd1 O7 118.12(15) 2_656 . ?
O9 Gd1 O7 97.89(14) . . ?
O4 Gd1 O7 76.66(14) . . ?
O1 Gd1 O7 106.79(14) . . ?
O2 Gd1 O7 135.77(13) . . ?
O7 Gd1 O7 151.06(9) 2_656 . ?
O10 Gd1 O5 105.19(15) . . ?
O10 Gd1 O5 68.77(14) 2_656 . ?
O9 Gd1 O5 69.20(14) . . ?
O4 Gd1 O5 61.91(15) . . ?
O1 Gd1 O5 158.06(14) . . ?
O2 Gd1 O5 131.66(13) . . ?
O7 Gd1 O5 117.78(13) 2_656 . ?
O7 Gd1 O5 52.70(13) . . ?
O10 Gd1 B4 160.05(19) . 2_656 ?
O10 Gd1 B4 29.14(16) 2_656 2_656 ?
O9 Gd1 B4 94.92(18) . 2_656 ?
O4 Gd1 B4 30.42(16) . 2_656 ?
O1 Gd1 B4 128.28(18) . 2_656 ?
O2 Gd1 B4 77.11(17) . 2_656 ?
O7 Gd1 B4 100.54(17) 2_656 2_656 ?
O7 Gd1 B4 93.68(16) . 2_656 ?
O5 Gd1 B4 54.86(17) . 2_656 ?
O10 Gd1 O6 86.91(13) . . ?
O10 Gd1 O6 120.64(13) 2_656 . ?
O9 Gd1 O6 148.49(14) . . ?
O4 Gd1 O6 63.15(13) . . ?
O1 Gd1 O6 67.18(13) . . ?
O2 Gd1 O6 85.78(13) . . ?
O7 Gd1 O6 150.54(13) 2_656 . ?
O7 Gd1 O6 51.24(13) . . ?
O5 Gd1 O6 91.48(12) . . ?
B4 Gd1 O6 93.48(16) 2_656 . ?
O10 Gd1 B1 96.54(18) . . ?
O10 Gd1 B1 98.57(17) 2_656 . ?
O9 Gd1 B1 131.91(17) . . ?
O4 Gd1 B1 91.87(18) . . ?
O1 Gd1 B1 27.57(16) . . ?
O2 Gd1 B1 27.38(16) . . ?
O7 Gd1 B1 76.68(17) 2_656 . ?
O7 Gd1 B1 124.60(16) . . ?
O5 Gd1 B1 153.77(16) . . ?
B4 Gd1 B1 102.8(2) 2_656 . ?
O6 Gd1 B1 74.99(16) . . ?
O3 Mg1 O1 117.3(2) 2_556 4_566 ?
O3 Mg1 O8 98.54(19) 2_556 . ?
O1 Mg1 O8 86.10(19) 4_566 . ?
O3 Mg1 O1 89.05(18) 2_556 2_656 ?
O1 Mg1 O1 79.4(2) 4_566 2_656 ?
O8 Mg1 O1 165.43(19) . 2_656 ?
O3 Mg1 O6 88.90(18) 2_556 2_656 ?
O1 Mg1 O6 150.8(2) 4_566 2_656 ?
O8 Mg1 O6 103.29(19) . 2_656 ?
O1 Mg1 O6 89.19(18) 2_656 2_656 ?
O3 Mg1 O9 138.57(18) 2_556 . ?
O1 Mg1 O9 99.60(19) 4_566 . ?
O8 Mg1 O9 64.22(19) . . ?
O1 Mg1 O9 117.1(2) 2_656 . ?
O6 Mg1 O9 61.95(17) 2_656 . ?
O3 Mg1 B5 119.2(2) 2_556 2_646 ?
O1 Mg1 B5 96.5(2) 4_566 2_646 ?
O8 Mg1 B5 31.8(2) . 2_646 ?
O1 Mg1 B5 149.0(2) 2_656 2_646 ?
O6 Mg1 B5 79.62(19) 2_656 2_646 ?
O9 Mg1 B5 32.70(19) . 2_646 ?
O3 Mg1 B4 27.05(18) 2_556 4_566 ?
O1 Mg1 B4 90.9(2) 4_566 4_566 ?
O8 Mg1 B4 103.6(2) . 4_566 ?
O1 Mg1 B4 77.71(19) 2_656 4_566 ?
O6 Mg1 B4 112.93(19) 2_656 4_566 ?
O9 Mg1 B4 163.1(2) . 4_566 ?
B5 Mg1 B4 133.2(2) 2_646 4_566 ?
O3 Mg1 B3 116.1(2) 2_556 2_656 ?
O1 Mg1 B3 126.5(2) 4_566 2_656 ?
O8 Mg1 B3 84.9(2) . 2_656 ?
O1 Mg1 B3 102.9(2) 2_656 2_656 ?
O6 Mg1 B3 30.71(17) 2_656 2_656 ?
O9 Mg1 B3 31.37(17) . 2_656 ?
B5 Mg1 B3 55.0(2) 2_646 2_656 ?
B4 Mg1 B3 142.3(2) 4_566 2_656 ?
O3 Mg1 Mg1 106.65(16) 2_556 3_667 ?
O1 Mg1 Mg1 39.82(13) 4_566 3_667 ?
O8 Mg1 Mg1 125.92(17) . 3_667 ?
O1 Mg1 Mg1 39.54(13) 2_656 3_667 ?
O6 Mg1 Mg1 123.81(16) 2_656 3_667 ?
O9 Mg1 Mg1 113.91(16) . 3_667 ?
B5 Mg1 Mg1 129.24(17) 2_646 3_667 ?
B4 Mg1 Mg1 82.61(16) 4_566 3_667 ?
B3 Mg1 Mg1 122.11(18) 2_656 3_667 ?
O3 Mg1 Gd1 110.71(14) 2_556 2_656 ?
O1 Mg1 Gd1 100.81(14) 4_566 2_656 ?
O8 Mg1 Gd1 141.85(16) . 2_656 ?
O1 Mg1 Gd1 42.52(14) 2_656 2_656 ?
O6 Mg1 Gd1 55.14(12) 2_656 2_656 ?
O9 Mg1 Gd1 77.62(13) . 2_656 ?
B5 Mg1 Gd1 110.14(17) 2_646 2_656 ?
B4 Mg1 Gd1 113.61(15) 4_566 2_656 ?
B3 Mg1 Gd1 60.67(14) 2_656 2_656 ?
Mg1 Mg1 Gd1 68.98(7) 3_667 2_656 ?
O3 Mg1 Nd1 110.71(14) 2_556 2_656 ?
O1 Mg1 Nd1 100.81(14) 4_566 2_656 ?
O8 Mg1 Nd1 141.85(16) . 2_656 ?
O1 Mg1 Nd1 42.52(14) 2_656 2_656 ?
O6 Mg1 Nd1 55.14(12) 2_656 2_656 ?
O9 Mg1 Nd1 77.62(13) . 2_656 ?
B5 Mg1 Nd1 110.14(17) 2_646 2_656 ?
B4 Mg1 Nd1 113.61(15) 4_566 2_656 ?
B3 Mg1 Nd1 60.67(14) 2_656 2_656 ?
Mg1 Mg1 Nd1 68.98(7) 3_667 2_656 ?
Gd1 Mg1 Nd1 0.000(11) 2_656 2_656 ?
O2 B1 O1 114.2(6) . . ?
O2 B1 O5 121.2(5) . 4_665 ?
O1 B1 O5 124.6(6) . 4_665 ?
O2 B1 Gd1 58.1(3) . . ?
O1 B1 Gd1 56.1(3) . . ?
O5 B1 Gd1 178.7(5) 4_665 . ?
O8 B2 O7 113.1(5) . 3_657 ?
O8 B2 O6 109.6(5) . 1_455 ?
O7 B2 O6 112.9(5) 3_657 1_455 ?
O8 B2 O5 109.7(5) . 3_657 ?
O7 B2 O5 103.2(5) 3_657 3_657 ?
O6 B2 O5 108.0(5) 1_455 3_657 ?
O6 B3 O4 115.3(5) . 3_757 ?
O6 B3 O9 105.5(6) . 2_646 ?
O4 B3 O9 110.5(5) 3_757 2_646 ?
O6 B3 O7 110.3(5) . . ?
O4 B3 O7 109.4(5) 3_757 . ?
O9 B3 O7 105.4(5) 2_646 . ?
O6 B3 Mg1 50.1(3) . 2_646 ?
O4 B3 Mg1 134.6(5) 3_757 2_646 ?
O9 B3 Mg1 55.6(3) 2_646 2_646 ?
O7 B3 Mg1 115.9(4) . 2_646 ?
O6 B3 Nd1 129.3(4) . 2_646 ?
O4 B3 Nd1 115.1(4) 3_757 2_646 ?
O9 B3 Nd1 50.8(3) 2_646 2_646 ?
O7 B3 Nd1 55.6(3) . 2_646 ?
Mg1 B3 Nd1 89.5(2) 2_646 2_646 ?
O6 B3 Gd1 129.3(4) . 2_646 ?
O4 B3 Gd1 115.1(4) 3_757 2_646 ?
O9 B3 Gd1 50.8(3) 2_646 2_646 ?
O7 B3 Gd1 55.6(3) . 2_646 ?
Mg1 B3 Gd1 89.5(2) 2_646 2_646 ?
Nd1 B3 Gd1 0.0 2_646 2_646 ?
O10 B4 O3 123.2(6) . 3_656 ?
O10 B4 O4 116.6(6) . 2_646 ?
O3 B4 O4 120.2(5) 3_656 2_646 ?
O10 B4 Gd1 58.8(3) . 2_646 ?
O3 B4 Gd1 157.5(5) 3_656 2_646 ?
O4 B4 Gd1 62.1(3) 2_646 2_646 ?
O10 B4 Nd1 58.8(3) . 2_646 ?
O3 B4 Nd1 157.5(5) 3_656 2_646 ?
O4 B4 Nd1 62.1(3) 2_646 2_646 ?
Gd1 B4 Nd1 0.000(15) 2_646 2_646 ?
O10 B4 Mg1 80.7(4) . 4_665 ?
O3 B4 Mg1 43.5(3) 3_656 4_665 ?
O4 B4 Mg1 159.0(5) 2_646 4_665 ?
Gd1 B4 Mg1 126.6(2) 2_646 4_665 ?
Nd1 B4 Mg1 126.6(2) 2_646 4_665 ?
O2 B5 O8 112.9(5) . 2_656 ?
O2 B5 O9 110.7(5) . 2_656 ?
O8 B5 O9 105.9(5) 2_656 2_656 ?
O2 B5 O3 106.8(5) . 2_656 ?
O8 B5 O3 108.9(5) 2_656 2_656 ?
O9 B5 O3 111.7(5) 2_656 2_656 ?
O2 B5 Mg1 135.0(4) . 2_656 ?
O8 B5 Mg1 48.1(3) 2_656 2_656 ?
O9 B5 Mg1 58.5(3) 2_656 2_656 ?
O3 B5 Mg1 117.8(4) 2_656 2_656 ?
B4 O10 Gd1 146.6(4) . . ?
B4 O10 Nd1 92.0(4) . 2_646 ?
Gd1 O10 Nd1 115.9 . 2_646 ?
B4 O10 Gd1 92.0(4) . 2_646 ?
Gd1 O10 Gd1 115.91(18) . 2_646 ?
Nd1 O10 Gd1 0.0 2_646 2_646 ?
B3 O9 B5 120.9(5) 2_656 2_646 ?
B3 O9 Mg1 93.0(4) 2_656 . ?
B5 O9 Mg1 88.8(4) 2_646 . ?
B3 O9 Gd1 101.2(4) 2_656 . ?
B5 O9 Gd1 127.1(4) 2_646 . ?
Mg1 O9 Gd1 121.5(2) . . ?
B2 O8 B5 118.1(5) . 2_646 ?
B2 O8 Mg1 141.2(4) . . ?
B5 O8 Mg1 100.1(4) 2_646 . ?
B3 O7 B2 123.5(5) . 3_657 ?
B3 O7 Nd1 95.8(3) . 2_646 ?
B2 O7 Nd1 131.2(4) 3_657 2_646 ?
B3 O7 Gd1 95.8(3) . 2_646 ?
B2 O7 Gd1 131.2(4) 3_657 2_646 ?
Nd1 O7 Gd1 0.0 2_646 2_646 ?
B3 O7 Gd1 102.4(3) . . ?
B2 O7 Gd1 98.9(3) 3_657 . ?
Nd1 O7 Gd1 99.3 2_646 . ?
Gd1 O7 Gd1 99.34(13) 2_646 . ?
B3 O6 B2 121.8(5) . 1_655 ?
B3 O6 Mg1 99.2(4) . 2_646 ?
B2 O6 Mg1 123.2(4) 1_655 2_646 ?
B3 O6 Gd1 90.7(3) . . ?
B2 O6 Gd1 126.0(3) 1_655 . ?
Mg1 O6 Gd1 86.72(14) 2_646 . ?
B1 O5 B2 121.0(5) 4_566 3_657 ?
B1 O5 Gd1 141.2(4) 4_566 . ?
B2 O5 Gd1 97.6(3) 3_657 . ?
B4 O4 B3 118.9(5) 2_656 3_757 ?
B4 O4 Gd1 87.5(3) 2_656 . ?
B3 O4 Gd1 131.4(4) 3_757 . ?
B4 O3 B5 123.7(5) 3_656 2_646 ?
B4 O3 Mg1 109.5(4) 3_656 2_546 ?
B5 O3 Mg1 126.3(4) 2_646 2_546 ?
B1 O2 B5 121.4(5) . . ?
B1 O2 Gd1 94.5(4) . . ?
B5 O2 Gd1 142.8(4) . . ?
B1 O1 Mg1 116.3(4) . 4_665 ?
B1 O1 Mg1 125.4(4) . 2_646 ?
Mg1 O1 Mg1 100.6(2) 4_665 2_646 ?
B1 O1 Gd1 96.3(4) . . ?
Mg1 O1 Gd1 115.2(2) 4_665 . ?
Mg1 O1 Gd1 102.72(19) 2_646 . ?

_refine_diff_density_max         2.244
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.310

