# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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 1525395'
_audit_update_record             
;
2017-01-03 deposited with the CCDC.
2017-02-16 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            'B16 Gd7.50 O48 Sr12 Yb0.50'
_chemical_formula_weight         3258.36

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'
Sr Sr -1.5307 3.2498 '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'
O O 0.0106 0.0060 '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      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

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

_cell_length_a                   7.3859(5)
_cell_length_b                   15.9445(12)
_cell_length_c                   8.7003(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1024.59(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    1806
_cell_measurement_theta_min      3.4398
_cell_measurement_theta_max      28.4096

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    5.281
_exptl_crystal_F_000             1435
_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    28.684
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.09920
_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  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            3854
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         3.619
_diffrn_reflns_theta_max         24.977
_diffrn_reflns_theta_full        24.977
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             940
_reflns_number_gt                837
_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)+(0.0642P)²+8.2246P] 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       0.0118(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         940
_refine_ls_number_parameters     114
_refine_ls_number_restraints     23
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.1160
_refine_ls_wR_factor_gt          0.1120
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_restrained_S_all      1.082
_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
Gd1 Gd 0.17996(12) 0.7500 0.53179(10) 0.0175(5) Uani 0.630(10) 2 d S T P A 1
Yb1 Yb 0.17996(12) 0.7500 0.53179(10) 0.0175(5) Uani 0.0836(7) 2 d S T P A 2
Sr1 Sr 0.17996(12) 0.7500 0.53179(10) 0.0175(5) Uani 0.328(12) 2 d S T P A .
Gd2 Gd -0.19448(13) 0.62626(5) 0.34254(11) 0.0233(5) Uani 0.262(6) 1 d . . P A
1
Yb2 Yb -0.19448(13) 0.62626(5) 0.34254(11) 0.0233(5) Uani 0.0454(4) 1 d . . P A
2
Sr2 Sr -0.19448(13) 0.62626(5) 0.34254(11) 0.0233(5) Uani 0.720(7) 1 d . . P A
.
Gd3 Gd -0.01914(11) 0.58457(5) 0.82135(10) 0.0205(4) Uani 0.360(6) 1 d . . P A
1
Yb3 Yb -0.01914(11) 0.58457(5) 0.82135(10) 0.0205(4) Uani 0.0388(4) 1 d . . P A
2
Sr3 Sr -0.01914(11) 0.58457(5) 0.82135(10) 0.0205(4) Uani 0.616(7) 1 d . . P A
.
B1 B 0.508(2) 0.7500 0.365(2) 0.010(3) Uani 1 2 d S TU P A .
B2 B 0.1724(17) 0.5426(8) 0.4533(15) 0.016(3) Uani 1 1 d . U . . .
B3 B -0.221(3) 0.7500 0.645(2) 0.017(4) Uani 1 2 d S TU P A .
O1 O 0.6175(19) 0.7500 0.2430(14) 0.033(3) Uani 1 2 d S T P A .
O2 O -0.3010(15) 0.5123(7) 0.5101(16) 0.057(3) Uani 1 1 d . . . . .
O3 O -0.4041(18) 0.5468(8) 0.1864(12) 0.060(3) Uani 1 1 d . . . . .
O4 O 0.112(2) 0.6021(7) 0.550(2) 0.064(5) Uani 0.85 1 d . . P A .
O5 O -0.2505(18) 0.6770(7) 0.7170(16) 0.066(3) Uani 1 1 d . . . . .
O6 O -0.145(2) 0.7500 0.5023(15) 0.035(3) Uani 1 2 d S T P A .
O7 O 0.4487(12) 0.6750(5) 0.4247(10) 0.0244(19) Uani 1 1 d . . . . .
O4' O 0.171(9) 0.530(5) 0.610(9) 0.044(17) Uiso 0.15 1 d . . P A .


_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 O6 2.414(15) . ?
Gd1 O4 2.416(12) 7_575 ?
Gd1 O4 2.416(12) . ?
Gd1 O1 2.435(13) 6_556 ?
Gd1 O7 2.498(8) 7_575 ?
Gd1 O7 2.498(8) . ?
Gd1 O5 2.529(14) 4_566 ?
Gd1 O5 2.529(14) 6_657 ?
Gd1 B1 2.825(17) . ?
Gd1 B3 2.905(18) 6_657 ?
Gd1 Sr3 3.6782(10) 4_566 ?
Gd1 Gd3 3.6782(10) 4_566 ?
Yb1 O6 2.414(15) . ?
Yb1 O4 2.416(12) 7_575 ?
Yb1 O4 2.416(12) . ?
Yb1 O1 2.435(13) 6_556 ?
Yb1 O7 2.498(8) 7_575 ?
Yb1 O7 2.498(8) . ?
Yb1 O5 2.529(14) 4_566 ?
Yb1 O5 2.529(14) 6_657 ?
Yb1 B1 2.825(17) . ?
Yb1 B3 2.905(18) 6_657 ?
Yb1 B3 3.119(19) . ?
Yb1 Sr3 3.6782(10) 4_566 ?
Gd2 O3 2.419(11) . ?
Gd2 O6 2.441(8) . ?
Gd2 O2 2.459(12) . ?
Gd2 O3 2.504(15) 6_656 ?
Gd2 O4' 2.52(7) 5_566 ?
Gd2 O1 2.563(8) 1_455 ?
Gd2 O7 2.670(9) 6_556 ?
Gd2 O7 2.839(9) 1_455 ?
Gd2 O4 2.918(18) . ?
Gd2 B1 2.958(12) 1_455 ?
Gd2 B2 3.061(13) 6_556 ?
Gd2 B1 3.067(13) 6_556 ?
Yb2 O3 2.419(11) . ?
Yb2 O6 2.441(8) . ?
Yb2 O2 2.459(12) . ?
Yb2 O3 2.504(15) 6_656 ?
Yb2 O4' 2.52(7) 5_566 ?
Yb2 O1 2.563(8) 1_455 ?
Yb2 O7 2.670(9) 6_556 ?
Yb2 O7 2.839(9) 1_455 ?
Yb2 O4 2.918(18) . ?
Yb2 B1 2.958(12) 1_455 ?
Yb2 B2 3.061(13) 6_556 ?
Yb2 B1 3.067(13) 6_556 ?
Gd3 O5 2.432(13) . ?
Gd3 O2 2.465(12) 6_657 ?
Gd3 O3 2.467(13) 2_465 ?
Gd3 O4' 2.48(7) . ?
Gd3 O5 2.494(13) 6_657 ?
Gd3 O4' 2.52(7) 6_557 ?
Gd3 O4 2.570(15) . ?
Gd3 O2 2.617(14) 2_465 ?
Gd3 O7 2.649(8) 6_557 ?
Gd3 B2 3.080(13) 6_557 ?
Gd3 Gd1 3.6782(10) 6_557 ?
Gd3 Sr1 3.6782(10) 6_557 ?
Yb3 O5 2.432(13) . ?
Yb3 O2 2.465(12) 6_657 ?
Yb3 O3 2.467(13) 2_465 ?
Yb3 O4' 2.48(7) . ?
Yb3 O5 2.494(13) 6_657 ?
Yb3 O4' 2.52(7) 6_557 ?
Yb3 O4 2.570(15) . ?
Yb3 O2 2.617(14) 2_465 ?
Yb3 O7 2.649(8) 6_557 ?
Yb3 O4 2.960(18) 6_557 ?
Yb3 B2 3.080(13) 6_557 ?
Yb3 Yb1 3.6782(10) 6_557 ?
B1 O1 1.34(2) . ?
B1 O7 1.375(12) 7_575 ?
B1 O7 1.375(12) . ?
B1 Sr2 2.958(12) 7_675 ?
B1 Yb2 2.958(12) 7_675 ?
B1 Gd2 2.958(12) 7_675 ?
B1 Gd2 2.958(12) 1_655 ?
B1 Yb2 2.958(12) 1_655 ?
B1 Sr2 2.958(12) 1_655 ?
B2 O2 1.330(17) 5_566 ?
B2 O3 1.342(17) 6_656 ?
B2 O4 1.342(19) . ?
B2 O4' 1.38(8) . ?
B2 Sr2 3.061(13) 6_656 ?
B2 Yb2 3.061(13) 6_656 ?
B2 Gd2 3.061(13) 6_656 ?
B2 Sr3 3.080(13) 6_657 ?
B2 Yb3 3.080(13) 6_657 ?
B2 Gd3 3.080(13) 6_657 ?
B3 O5 1.340(15) 7_575 ?
B3 O5 1.340(15) . ?
B3 O6 1.36(2) . ?
B3 Sr1 2.905(18) 6_557 ?
B3 Yb1 2.905(18) 6_557 ?
B3 Gd1 2.905(18) 6_557 ?
B3 Sr2 3.296(15) 7_575 ?
B3 Sr3 3.395(12) 7_575 ?
O1 Sr1 2.435(13) 6_656 ?
O1 Gd1 2.435(13) 6_656 ?
O1 Yb1 2.435(13) 6_656 ?
O1 Sr2 2.563(8) 7_675 ?
O1 Yb2 2.563(8) 7_675 ?
O1 Gd2 2.563(8) 7_675 ?
O1 Gd2 2.563(8) 1_655 ?
O1 Yb2 2.563(8) 1_655 ?
O1 Sr2 2.563(8) 1_655 ?
O1 Sr2 3.124(11) 6_656 ?
O1 Sr2 3.124(11) 4_565 ?
O2 B2 1.330(17) 5_566 ?
O2 O4' 1.57(7) 5_566 ?
O2 Gd3 2.465(12) 6_557 ?
O2 Sr3 2.465(12) 6_557 ?
O2 Yb3 2.465(12) 6_557 ?
O2 Gd3 2.617(14) 2_464 ?
O2 Sr3 2.617(14) 2_464 ?
O2 Yb3 2.617(14) 2_464 ?
O3 B2 1.342(17) 6_556 ?
O3 Sr3 2.467(13) 2_464 ?
O3 Yb3 2.467(13) 2_464 ?
O3 Gd3 2.467(13) 2_464 ?
O3 Gd2 2.504(15) 6_556 ?
O3 Sr2 2.504(15) 6_556 ?
O3 Yb2 2.504(15) 6_556 ?
O4 O4' 1.34(7) . ?
O4 Sr3 2.960(17) 6_657 ?
O5 Sr3 2.494(13) 6_557 ?
O5 Yb3 2.494(13) 6_557 ?
O5 Gd3 2.494(13) 6_557 ?
O5 Gd1 2.529(14) 6_557 ?
O5 Sr1 2.529(14) 6_557 ?
O5 Yb1 2.529(14) 6_557 ?
O6 Sr2 2.441(8) 7_575 ?
O6 Gd2 2.441(8) 7_575 ?
O6 Yb2 2.441(8) 7_575 ?
O7 Sr3 2.649(8) 6_657 ?
O7 Yb3 2.649(8) 6_657 ?
O7 Gd3 2.649(8) 6_657 ?
O7 Gd2 2.670(9) 6_656 ?
O7 Yb2 2.670(9) 6_656 ?
O7 Sr2 2.670(9) 6_656 ?
O7 Gd2 2.839(9) 1_655 ?
O7 Yb2 2.839(9) 1_655 ?
O4' O2 1.57(7) 5_566 ?
O4' Gd2 2.52(7) 5_566 ?
O4' Yb2 2.52(7) 5_566 ?
O4' Sr2 2.52(7) 5_566 ?
O4' Gd3 2.52(7) 6_657 ?
O4' Yb3 2.52(7) 6_657 ?
O4' Sr3 2.52(7) 6_657 ?

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 Gd1 O4 78.5(4) . 7_575 ?
O6 Gd1 O4 78.5(4) . . ?
O4 Gd1 O4 154.9(7) 7_575 . ?
O6 Gd1 O1 73.0(4) . 6_556 ?
O4 Gd1 O1 91.4(4) 7_575 6_556 ?
O4 Gd1 O1 91.4(4) . 6_556 ?
O6 Gd1 O7 138.6(3) . 7_575 ?
O4 Gd1 O7 73.9(4) 7_575 7_575 ?
O4 Gd1 O7 131.0(4) . 7_575 ?
O1 Gd1 O7 77.5(3) 6_556 7_575 ?
O6 Gd1 O7 138.6(3) . . ?
O4 Gd1 O7 131.0(4) 7_575 . ?
O4 Gd1 O7 73.9(4) . . ?
O1 Gd1 O7 77.5(3) 6_556 . ?
O7 Gd1 O7 57.2(4) 7_575 . ?
O6 Gd1 O5 107.1(4) . 4_566 ?
O4 Gd1 O5 62.4(5) 7_575 4_566 ?
O4 Gd1 O5 115.9(5) . 4_566 ?
O1 Gd1 O5 152.5(3) 6_556 4_566 ?
O7 Gd1 O5 86.6(4) 7_575 4_566 ?
O7 Gd1 O5 112.4(4) . 4_566 ?
O6 Gd1 O5 107.1(4) . 6_657 ?
O4 Gd1 O5 115.9(5) 7_575 6_657 ?
O4 Gd1 O5 62.4(5) . 6_657 ?
O1 Gd1 O5 152.5(3) 6_556 6_657 ?
O7 Gd1 O5 112.4(4) 7_575 6_657 ?
O7 Gd1 O5 86.6(4) . 6_657 ?
O5 Gd1 O5 54.8(5) 4_566 6_657 ?
O6 Gd1 B1 143.1(5) . . ?
O4 Gd1 B1 102.2(3) 7_575 . ?
O4 Gd1 B1 102.2(3) . . ?
O1 Gd1 B1 70.1(5) 6_556 . ?
O7 Gd1 B1 29.12(19) 7_575 . ?
O7 Gd1 B1 29.12(19) . . ?
O5 Gd1 B1 105.6(4) 4_566 . ?
O5 Gd1 B1 105.6(4) 6_657 . ?
O6 Gd1 B3 110.7(5) . 6_657 ?
O4 Gd1 B3 89.5(4) 7_575 6_657 ?
O4 Gd1 B3 89.5(4) . 6_657 ?
O1 Gd1 B3 176.3(5) 6_556 6_657 ?
O7 Gd1 B3 99.2(4) 7_575 6_657 ?
O7 Gd1 B3 99.2(4) . 6_657 ?
O5 Gd1 B3 27.5(3) 4_566 6_657 ?
O5 Gd1 B3 27.5(3) 6_657 6_657 ?
B1 Gd1 B3 106.2(5) . 6_657 ?
O6 Gd1 Sr3 129.62(11) . 4_566 ?
O4 Gd1 Sr3 53.4(4) 7_575 4_566 ?
O4 Gd1 Sr3 143.4(4) . 4_566 ?
O1 Gd1 Sr3 117.10(19) 6_556 4_566 ?
O7 Gd1 Sr3 46.06(19) 7_575 4_566 ?
O7 Gd1 Sr3 89.58(19) . 4_566 ?
O5 Gd1 Sr3 41.1(3) 4_566 4_566 ?
O5 Gd1 Sr3 84.7(3) 6_657 4_566 ?
B1 Gd1 Sr3 70.1(2) . 4_566 ?
B3 Gd1 Sr3 60.7(2) 6_657 4_566 ?
O6 Gd1 Gd3 129.62(11) . 4_566 ?
O4 Gd1 Gd3 53.4(4) 7_575 4_566 ?
O4 Gd1 Gd3 143.4(4) . 4_566 ?
O1 Gd1 Gd3 117.10(19) 6_556 4_566 ?
O7 Gd1 Gd3 46.06(19) 7_575 4_566 ?
O7 Gd1 Gd3 89.58(19) . 4_566 ?
O5 Gd1 Gd3 41.1(3) 4_566 4_566 ?
O5 Gd1 Gd3 84.7(3) 6_657 4_566 ?
B1 Gd1 Gd3 70.1(2) . 4_566 ?
B3 Gd1 Gd3 60.7(2) 6_657 4_566 ?
Sr3 Gd1 Gd3 0.0 4_566 4_566 ?
O6 Yb1 O4 78.5(4) . 7_575 ?
O6 Yb1 O4 78.5(4) . . ?
O4 Yb1 O4 154.9(7) 7_575 . ?
O6 Yb1 O1 73.0(4) . 6_556 ?
O4 Yb1 O1 91.4(4) 7_575 6_556 ?
O4 Yb1 O1 91.4(4) . 6_556 ?
O6 Yb1 O7 138.6(3) . 7_575 ?
O4 Yb1 O7 73.9(4) 7_575 7_575 ?
O4 Yb1 O7 131.0(4) . 7_575 ?
O1 Yb1 O7 77.5(3) 6_556 7_575 ?
O6 Yb1 O7 138.6(3) . . ?
O4 Yb1 O7 131.0(4) 7_575 . ?
O4 Yb1 O7 73.9(4) . . ?
O1 Yb1 O7 77.5(3) 6_556 . ?
O7 Yb1 O7 57.2(4) 7_575 . ?
O6 Yb1 O5 107.1(4) . 4_566 ?
O4 Yb1 O5 62.4(5) 7_575 4_566 ?
O4 Yb1 O5 115.9(5) . 4_566 ?
O1 Yb1 O5 152.5(3) 6_556 4_566 ?
O7 Yb1 O5 86.6(4) 7_575 4_566 ?
O7 Yb1 O5 112.4(4) . 4_566 ?
O6 Yb1 O5 107.1(4) . 6_657 ?
O4 Yb1 O5 115.9(5) 7_575 6_657 ?
O4 Yb1 O5 62.4(5) . 6_657 ?
O1 Yb1 O5 152.5(3) 6_556 6_657 ?
O7 Yb1 O5 112.4(4) 7_575 6_657 ?
O7 Yb1 O5 86.6(4) . 6_657 ?
O5 Yb1 O5 54.8(5) 4_566 6_657 ?
O6 Yb1 B1 143.1(5) . . ?
O4 Yb1 B1 102.2(3) 7_575 . ?
O4 Yb1 B1 102.2(3) . . ?
O1 Yb1 B1 70.1(5) 6_556 . ?
O7 Yb1 B1 29.12(19) 7_575 . ?
O7 Yb1 B1 29.12(19) . . ?
O5 Yb1 B1 105.6(4) 4_566 . ?
O5 Yb1 B1 105.6(4) 6_657 . ?
O6 Yb1 B3 110.7(5) . 6_657 ?
O4 Yb1 B3 89.5(4) 7_575 6_657 ?
O4 Yb1 B3 89.5(4) . 6_657 ?
O1 Yb1 B3 176.3(5) 6_556 6_657 ?
O7 Yb1 B3 99.2(4) 7_575 6_657 ?
O7 Yb1 B3 99.2(4) . 6_657 ?
O5 Yb1 B3 27.5(3) 4_566 6_657 ?
O5 Yb1 B3 27.5(3) 6_657 6_657 ?
B1 Yb1 B3 106.2(5) . 6_657 ?
O6 Yb1 B3 24.5(4) . . ?
O4 Yb1 B3 77.4(3) 7_575 . ?
O4 Yb1 B3 77.4(3) . . ?
O1 Yb1 B3 97.5(5) 6_556 . ?
O7 Yb1 B3 150.69(19) 7_575 . ?
O7 Yb1 B3 150.7(2) . . ?
O5 Yb1 B3 85.4(4) 4_566 . ?
O5 Yb1 B3 85.4(4) 6_657 . ?
B1 Yb1 B3 167.6(5) . . ?
B3 Yb1 B3 86.2(3) 6_657 . ?
O6 Yb1 Sr3 129.62(11) . 4_566 ?
O4 Yb1 Sr3 53.4(4) 7_575 4_566 ?
O4 Yb1 Sr3 143.4(4) . 4_566 ?
O1 Yb1 Sr3 117.10(19) 6_556 4_566 ?
O7 Yb1 Sr3 46.06(19) 7_575 4_566 ?
O7 Yb1 Sr3 89.58(19) . 4_566 ?
O5 Yb1 Sr3 41.1(3) 4_566 4_566 ?
O5 Yb1 Sr3 84.7(3) 6_657 4_566 ?
B1 Yb1 Sr3 70.1(2) . 4_566 ?
B3 Yb1 Sr3 60.7(2) 6_657 4_566 ?
B3 Yb1 Sr3 117.6(2) . 4_566 ?
O3 Gd2 O6 147.1(5) . . ?
O3 Gd2 O2 75.0(4) . . ?
O6 Gd2 O2 107.9(4) . . ?
O3 Gd2 O3 103.1(4) . 6_656 ?
O6 Gd2 O3 109.8(4) . 6_656 ?
O2 Gd2 O3 87.7(4) . 6_656 ?
O3 Gd2 O4' 67.7(17) . 5_566 ?
O6 Gd2 O4' 133.7(18) . 5_566 ?
O2 Gd2 O4' 36.6(17) . 5_566 ?
O3 Gd2 O4' 57.3(16) 6_656 5_566 ?
O3 Gd2 O1 82.3(4) . 1_455 ?
O6 Gd2 O1 69.6(4) . 1_455 ?
O2 Gd2 O1 126.6(4) . 1_455 ?
O3 Gd2 O1 145.0(4) 6_656 1_455 ?
O4' Gd2 O1 148.3(16) 5_566 1_455 ?
O3 Gd2 O7 85.2(3) . 6_556 ?
O6 Gd2 O7 101.6(3) . 6_556 ?
O2 Gd2 O7 149.1(4) . 6_556 ?
O3 Gd2 O7 73.8(3) 6_656 6_556 ?
O4' Gd2 O7 113.7(17) 5_566 6_556 ?
O1 Gd2 O7 72.3(4) 1_455 6_556 ?
O3 Gd2 O7 72.0(4) . 1_455 ?
O6 Gd2 O7 76.9(4) . 1_455 ?
O2 Gd2 O7 75.9(3) . 1_455 ?
O3 Gd2 O7 163.5(3) 6_656 1_455 ?
O4' Gd2 O7 107.0(16) 5_566 1_455 ?
O1 Gd2 O7 51.1(3) 1_455 1_455 ?
O7 Gd2 O7 120.5(3) 6_556 1_455 ?
O3 Gd2 O4 140.7(4) . . ?
O6 Gd2 O4 68.9(4) . . ?
O2 Gd2 O4 77.6(4) . . ?
O3 Gd2 O4 48.0(4) 6_656 . ?
O4' Gd2 O4 73.4(16) 5_566 . ?
O1 Gd2 O4 136.9(3) 1_455 . ?
O7 Gd2 O4 105.6(3) 6_556 . ?
O7 Gd2 O4 126.9(3) 1_455 . ?
O3 Gd2 B1 85.0(4) . 1_455 ?
O6 Gd2 B1 62.2(4) . 1_455 ?
O2 Gd2 B1 102.5(4) . 1_455 ?
O3 Gd2 B1 168.5(3) 6_656 1_455 ?
O4' Gd2 B1 134.1(16) 5_566 1_455 ?
O1 Gd2 B1 26.8(4) 1_455 1_455 ?
O7 Gd2 B1 99.1(4) 6_556 1_455 ?
O7 Gd2 B1 27.3(3) 1_455 1_455 ?
O4 Gd2 B1 128.5(4) . 1_455 ?
O3 Gd2 B2 25.0(4) . 6_556 ?
O6 Gd2 B2 151.5(4) . 6_556 ?
O2 Gd2 B2 94.2(4) . 6_556 ?
O3 Gd2 B2 88.3(4) 6_656 6_556 ?
O4' Gd2 B2 74.4(17) 5_566 6_556 ?
O1 Gd2 B2 83.0(3) 1_455 6_556 ?
O7 Gd2 B2 61.4(3) 6_556 6_556 ?
O7 Gd2 B2 91.9(3) 1_455 6_556 ?
O4 Gd2 B2 135.3(3) . 6_556 ?
B1 Gd2 B2 96.2(4) 1_455 6_556 ?
O3 Gd2 B1 108.6(4) . 6_556 ?
O6 Gd2 B1 75.1(4) . 6_556 ?
O2 Gd2 B1 168.9(4) . 6_556 ?
O3 Gd2 B1 81.3(3) 6_656 6_556 ?
O4' Gd2 B1 134.1(17) 5_566 6_556 ?
O1 Gd2 B1 64.5(4) 1_455 6_556 ?
O7 Gd2 B1 26.6(3) 6_556 6_556 ?
O7 Gd2 B1 115.2(3) 1_455 6_556 ?
O4 Gd2 B1 94.0(4) . 6_556 ?
B1 Gd2 B1 88.4(2) 1_455 6_556 ?
B2 Gd2 B1 86.7(4) 6_556 6_556 ?
O3 Yb2 O6 147.1(5) . . ?
O3 Yb2 O2 75.0(4) . . ?
O6 Yb2 O2 107.9(4) . . ?
O3 Yb2 O3 103.1(4) . 6_656 ?
O6 Yb2 O3 109.8(4) . 6_656 ?
O2 Yb2 O3 87.7(4) . 6_656 ?
O3 Yb2 O4' 67.7(17) . 5_566 ?
O6 Yb2 O4' 133.7(18) . 5_566 ?
O2 Yb2 O4' 36.6(17) . 5_566 ?
O3 Yb2 O4' 57.3(16) 6_656 5_566 ?
O3 Yb2 O1 82.3(4) . 1_455 ?
O6 Yb2 O1 69.6(4) . 1_455 ?
O2 Yb2 O1 126.6(4) . 1_455 ?
O3 Yb2 O1 145.0(4) 6_656 1_455 ?
O4' Yb2 O1 148.3(16) 5_566 1_455 ?
O3 Yb2 O7 85.2(3) . 6_556 ?
O6 Yb2 O7 101.6(3) . 6_556 ?
O2 Yb2 O7 149.1(4) . 6_556 ?
O3 Yb2 O7 73.8(3) 6_656 6_556 ?
O4' Yb2 O7 113.7(17) 5_566 6_556 ?
O1 Yb2 O7 72.3(4) 1_455 6_556 ?
O3 Yb2 O7 72.0(4) . 1_455 ?
O6 Yb2 O7 76.9(4) . 1_455 ?
O2 Yb2 O7 75.9(3) . 1_455 ?
O3 Yb2 O7 163.5(3) 6_656 1_455 ?
O4' Yb2 O7 107.0(16) 5_566 1_455 ?
O1 Yb2 O7 51.1(3) 1_455 1_455 ?
O7 Yb2 O7 120.5(3) 6_556 1_455 ?
O3 Yb2 O4 140.7(4) . . ?
O6 Yb2 O4 68.9(4) . . ?
O2 Yb2 O4 77.6(4) . . ?
O3 Yb2 O4 48.0(4) 6_656 . ?
O4' Yb2 O4 73.4(16) 5_566 . ?
O1 Yb2 O4 136.9(3) 1_455 . ?
O7 Yb2 O4 105.6(3) 6_556 . ?
O7 Yb2 O4 126.9(3) 1_455 . ?
O3 Yb2 B1 85.0(4) . 1_455 ?
O6 Yb2 B1 62.2(4) . 1_455 ?
O2 Yb2 B1 102.5(4) . 1_455 ?
O3 Yb2 B1 168.5(3) 6_656 1_455 ?
O4' Yb2 B1 134.1(16) 5_566 1_455 ?
O1 Yb2 B1 26.8(4) 1_455 1_455 ?
O7 Yb2 B1 99.1(4) 6_556 1_455 ?
O7 Yb2 B1 27.3(3) 1_455 1_455 ?
O4 Yb2 B1 128.5(4) . 1_455 ?
O3 Yb2 B2 25.0(4) . 6_556 ?
O6 Yb2 B2 151.5(4) . 6_556 ?
O2 Yb2 B2 94.2(4) . 6_556 ?
O3 Yb2 B2 88.3(4) 6_656 6_556 ?
O4' Yb2 B2 74.4(17) 5_566 6_556 ?
O1 Yb2 B2 83.0(3) 1_455 6_556 ?
O7 Yb2 B2 61.4(3) 6_556 6_556 ?
O7 Yb2 B2 91.9(3) 1_455 6_556 ?
O4 Yb2 B2 135.3(3) . 6_556 ?
B1 Yb2 B2 96.2(4) 1_455 6_556 ?
O3 Yb2 B1 108.6(4) . 6_556 ?
O6 Yb2 B1 75.1(4) . 6_556 ?
O2 Yb2 B1 168.9(4) . 6_556 ?
O3 Yb2 B1 81.3(3) 6_656 6_556 ?
O4' Yb2 B1 134.1(17) 5_566 6_556 ?
O1 Yb2 B1 64.5(4) 1_455 6_556 ?
O7 Yb2 B1 26.6(3) 6_556 6_556 ?
O7 Yb2 B1 115.2(3) 1_455 6_556 ?
O4 Yb2 B1 94.0(4) . 6_556 ?
B1 Yb2 B1 88.4(2) 1_455 6_556 ?
B2 Yb2 B1 86.7(4) 6_556 6_556 ?
O5 Gd3 O2 164.7(4) . 6_657 ?
O5 Gd3 O3 100.1(4) . 2_465 ?
O2 Gd3 O3 92.1(4) 6_657 2_465 ?
O5 Gd3 O4' 109.6(17) . . ?
O2 Gd3 O4' 84.6(17) 6_657 . ?
O3 Gd3 O4' 58.4(17) 2_465 . ?
O5 Gd3 O5 98.7(4) . 6_657 ?
O2 Gd3 O5 80.5(4) 6_657 6_657 ?
O3 Gd3 O5 128.4(4) 2_465 6_657 ?
O4' Gd3 O5 70.1(17) . 6_657 ?
O5 Gd3 O4' 70.3(17) . 6_557 ?
O2 Gd3 O4' 106.8(17) 6_657 6_557 ?
O3 Gd3 O4' 67.0(17) 2_465 6_557 ?
O4' Gd3 O4' 125(3) . 6_557 ?
O5 Gd3 O4' 163.5(17) 6_657 6_557 ?
O5 Gd3 O4 81.7(5) . . ?
O2 Gd3 O4 110.6(5) 6_657 . ?
O3 Gd3 O4 75.0(4) 2_465 . ?
O4' Gd3 O4 30.8(17) . . ?
O5 Gd3 O4 60.9(5) 6_657 . ?
O4' Gd3 O4 126.7(18) 6_557 . ?
O5 Gd3 O2 103.6(4) . 2_465 ?
O2 Gd3 O2 71.5(4) 6_657 2_465 ?
O3 Gd3 O2 71.4(4) 2_465 2_465 ?
O4' Gd3 O2 123.0(17) . 2_465 ?
O5 Gd3 O2 146.8(4) 6_657 2_465 ?
O4' Gd3 O2 35.4(17) 6_557 2_465 ?
O4 Gd3 O2 146.4(4) . 2_465 ?
O5 Gd3 O7 85.3(4) . 6_557 ?
O2 Gd3 O7 79.4(3) 6_657 6_557 ?
O3 Gd3 O7 147.0(3) 2_465 6_557 ?
O4' Gd3 O7 149.8(16) . 6_557 ?
O5 Gd3 O7 82.0(4) 6_657 6_557 ?
O4' Gd3 O7 84.8(17) 6_557 6_557 ?
O4 Gd3 O7 137.9(3) . 6_557 ?
O2 Gd3 O7 75.7(3) 2_465 6_557 ?
O5 Gd3 B2 81.4(4) . 6_557 ?
O2 Gd3 B2 90.2(4) 6_657 6_557 ?
O3 Gd3 B2 87.0(4) 2_465 6_557 ?
O4' Gd3 B2 144.7(17) . 6_557 ?
O5 Gd3 B2 143.4(4) 6_657 6_557 ?
O4' Gd3 B2 26.1(18) 6_557 6_557 ?
O4 Gd3 B2 152.6(4) . 6_557 ?
O2 Gd3 B2 25.4(4) 2_465 6_557 ?
O7 Gd3 B2 61.4(3) 6_557 6_557 ?
O5 Gd3 Gd1 43.2(3) . 6_557 ?
O2 Gd3 Gd1 121.6(3) 6_657 6_557 ?
O3 Gd3 Gd1 129.4(3) 2_465 6_557 ?
O4' Gd3 Gd1 148.8(17) . 6_557 ?
O5 Gd3 Gd1 96.0(3) 6_657 6_557 ?
O4' Gd3 Gd1 67.6(16) 6_557 6_557 ?
O4 Gd3 Gd1 118.0(3) . 6_557 ?
O2 Gd3 Gd1 84.2(2) 2_465 6_557 ?
O7 Gd3 Gd1 42.76(18) 6_557 6_557 ?
B2 Gd3 Gd1 59.2(2) 6_557 6_557 ?
O5 Gd3 Sr1 43.2(3) . 6_557 ?
O2 Gd3 Sr1 121.6(3) 6_657 6_557 ?
O3 Gd3 Sr1 129.4(3) 2_465 6_557 ?
O4' Gd3 Sr1 148.8(17) . 6_557 ?
O5 Gd3 Sr1 96.0(3) 6_657 6_557 ?
O4' Gd3 Sr1 67.6(16) 6_557 6_557 ?
O4 Gd3 Sr1 118.0(3) . 6_557 ?
O2 Gd3 Sr1 84.2(2) 2_465 6_557 ?
O7 Gd3 Sr1 42.76(18) 6_557 6_557 ?
B2 Gd3 Sr1 59.2(2) 6_557 6_557 ?
Gd1 Gd3 Sr1 0.00(4) 6_557 6_557 ?
O5 Yb3 O2 164.7(4) . 6_657 ?
O5 Yb3 O3 100.1(4) . 2_465 ?
O2 Yb3 O3 92.1(4) 6_657 2_465 ?
O5 Yb3 O4' 109.6(17) . . ?
O2 Yb3 O4' 84.6(17) 6_657 . ?
O3 Yb3 O4' 58.4(17) 2_465 . ?
O5 Yb3 O5 98.7(4) . 6_657 ?
O2 Yb3 O5 80.5(4) 6_657 6_657 ?
O3 Yb3 O5 128.4(4) 2_465 6_657 ?
O4' Yb3 O5 70.1(17) . 6_657 ?
O5 Yb3 O4' 70.3(17) . 6_557 ?
O2 Yb3 O4' 106.8(17) 6_657 6_557 ?
O3 Yb3 O4' 67.0(17) 2_465 6_557 ?
O4' Yb3 O4' 125(3) . 6_557 ?
O5 Yb3 O4' 163.5(17) 6_657 6_557 ?
O5 Yb3 O4 81.7(5) . . ?
O2 Yb3 O4 110.6(5) 6_657 . ?
O3 Yb3 O4 75.0(4) 2_465 . ?
O4' Yb3 O4 30.8(17) . . ?
O5 Yb3 O4 60.9(5) 6_657 . ?
O4' Yb3 O4 126.7(18) 6_557 . ?
O5 Yb3 O2 103.6(4) . 2_465 ?
O2 Yb3 O2 71.5(4) 6_657 2_465 ?
O3 Yb3 O2 71.4(4) 2_465 2_465 ?
O4' Yb3 O2 123.0(17) . 2_465 ?
O5 Yb3 O2 146.8(4) 6_657 2_465 ?
O4' Yb3 O2 35.4(17) 6_557 2_465 ?
O4 Yb3 O2 146.4(4) . 2_465 ?
O5 Yb3 O7 85.3(4) . 6_557 ?
O2 Yb3 O7 79.4(3) 6_657 6_557 ?
O3 Yb3 O7 147.0(3) 2_465 6_557 ?
O4' Yb3 O7 149.8(16) . 6_557 ?
O5 Yb3 O7 82.0(4) 6_657 6_557 ?
O4' Yb3 O7 84.8(17) 6_557 6_557 ?
O4 Yb3 O7 137.9(3) . 6_557 ?
O2 Yb3 O7 75.7(3) 2_465 6_557 ?
O5 Yb3 O4 55.8(4) . 6_557 ?
O2 Yb3 O4 114.8(4) 6_657 6_557 ?
O3 Yb3 O4 92.8(4) 2_465 6_557 ?
O4' Yb3 O4 146.8(17) . 6_557 ?
O5 Yb3 O4 136.7(4) 6_657 6_557 ?
O4' Yb3 O4 26.9(17) 6_557 6_557 ?
O4 Yb3 O4 133.3(4) . 6_557 ?
O2 Yb3 O4 49.5(3) 2_465 6_557 ?
O7 Yb3 O4 63.2(3) 6_557 6_557 ?
O5 Yb3 B2 81.4(4) . 6_557 ?
O2 Yb3 B2 90.2(4) 6_657 6_557 ?
O3 Yb3 B2 87.0(4) 2_465 6_557 ?
O4' Yb3 B2 144.7(17) . 6_557 ?
O5 Yb3 B2 143.4(4) 6_657 6_557 ?
O4' Yb3 B2 26.1(18) 6_557 6_557 ?
O4 Yb3 B2 152.6(4) . 6_557 ?
O2 Yb3 B2 25.4(4) 2_465 6_557 ?
O7 Yb3 B2 61.4(3) 6_557 6_557 ?
O4 Yb3 B2 25.6(4) 6_557 6_557 ?
O5 Yb3 Yb1 43.2(3) . 6_557 ?
O2 Yb3 Yb1 121.6(3) 6_657 6_557 ?
O3 Yb3 Yb1 129.4(3) 2_465 6_557 ?
O4' Yb3 Yb1 148.8(17) . 6_557 ?
O5 Yb3 Yb1 96.0(3) 6_657 6_557 ?
O4' Yb3 Yb1 67.6(16) 6_557 6_557 ?
O4 Yb3 Yb1 118.0(3) . 6_557 ?
O2 Yb3 Yb1 84.2(2) 2_465 6_557 ?
O7 Yb3 Yb1 42.76(18) 6_557 6_557 ?
O4 Yb3 Yb1 40.9(2) 6_557 6_557 ?
B2 Yb3 Yb1 59.2(2) 6_557 6_557 ?
O1 B1 O7 119.5(7) . 7_575 ?
O1 B1 O7 119.5(7) . . ?
O7 B1 O7 120.8(14) 7_575 . ?
O1 B1 Yb1 158.0(12) . . ?
O7 B1 Yb1 62.1(7) 7_575 . ?
O7 B1 Yb1 62.1(7) . . ?
O1 B1 Gd1 158.0(12) . . ?
O7 B1 Gd1 62.1(7) 7_575 . ?
O7 B1 Gd1 62.1(7) . . ?
O1 B1 Sr2 59.9(6) . 7_675 ?
O7 B1 Sr2 71.5(6) 7_575 7_675 ?
O7 B1 Sr2 147.5(10) . 7_675 ?
Yb1 B1 Sr2 132.2(4) . 7_675 ?
Gd1 B1 Sr2 132.2(4) . 7_675 ?
O1 B1 Yb2 59.9(6) . 7_675 ?
O7 B1 Yb2 71.5(6) 7_575 7_675 ?
O7 B1 Yb2 147.5(10) . 7_675 ?
Yb1 B1 Yb2 132.2(4) . 7_675 ?
Sr2 B1 Yb2 0.00(4) 7_675 7_675 ?
O1 B1 Gd2 59.9(6) . 7_675 ?
O7 B1 Gd2 71.5(6) 7_575 7_675 ?
O7 B1 Gd2 147.5(10) . 7_675 ?
Gd1 B1 Gd2 132.2(4) . 7_675 ?
Sr2 B1 Gd2 0.0 7_675 7_675 ?
O1 B1 Gd2 59.9(6) . 1_655 ?
O7 B1 Gd2 147.5(10) 7_575 1_655 ?
O7 B1 Gd2 71.5(6) . 1_655 ?
Gd1 B1 Gd2 132.2(4) . 1_655 ?
Sr2 B1 Gd2 83.7 7_675 1_655 ?
Gd2 B1 Gd2 83.7(4) 7_675 1_655 ?
O1 B1 Yb2 59.9(6) . 1_655 ?
O7 B1 Yb2 147.5(10) 7_575 1_655 ?
O7 B1 Yb2 71.5(6) . 1_655 ?
Yb1 B1 Yb2 132.2(4) . 1_655 ?
Sr2 B1 Yb2 83.7(4) 7_675 1_655 ?
Yb2 B1 Yb2 83.7(4) 7_675 1_655 ?
O1 B1 Sr2 59.9(6) . 1_655 ?
O7 B1 Sr2 147.5(10) 7_575 1_655 ?
O7 B1 Sr2 71.5(6) . 1_655 ?
Yb1 B1 Sr2 132.2(4) . 1_655 ?
Gd1 B1 Sr2 132.2(4) . 1_655 ?
Sr2 B1 Sr2 83.7(4) 7_675 1_655 ?
Yb2 B1 Sr2 83.7(4) 7_675 1_655 ?
Gd2 B1 Sr2 83.7(4) 7_675 1_655 ?
Gd2 B1 Sr2 0.00(4) 1_655 1_655 ?
Yb2 B1 Sr2 0.00(4) 1_655 1_655 ?
O2 B2 O3 123.4(13) 5_566 6_656 ?
O2 B2 O4 123.6(14) 5_566 . ?
O3 B2 O4 113.0(14) 6_656 . ?
O2 B2 O4' 71(3) 5_566 . ?
O3 B2 O4' 154(3) 6_656 . ?
O4 B2 O4' 59(3) . . ?
O2 B2 Sr2 105.0(9) 5_566 6_656 ?
O3 B2 Sr2 49.6(7) 6_656 6_656 ?
O4 B2 Sr2 108.9(9) . 6_656 ?
O4' B2 Sr2 154(3) . 6_656 ?
O2 B2 Yb2 105.0(9) 5_566 6_656 ?
O3 B2 Yb2 49.6(7) 6_656 6_656 ?
O4 B2 Yb2 108.9(9) . 6_656 ?
O4' B2 Yb2 154(3) . 6_656 ?
Sr2 B2 Yb2 0.00(3) 6_656 6_656 ?
O2 B2 Gd2 105.0(9) 5_566 6_656 ?
O3 B2 Gd2 49.6(7) 6_656 6_656 ?
O4 B2 Gd2 108.9(9) . 6_656 ?
O4' B2 Gd2 154(3) . 6_656 ?
Sr2 B2 Gd2 0.0 6_656 6_656 ?
O2 B2 Sr3 57.5(7) 5_566 6_657 ?
O3 B2 Sr3 151.3(9) 6_656 6_657 ?
O4 B2 Sr3 72.2(9) . 6_657 ?
O4' B2 Sr3 54(3) . 6_657 ?
Sr2 B2 Sr3 101.7(4) 6_656 6_657 ?
Yb2 B2 Sr3 101.7(4) 6_656 6_657 ?
Gd2 B2 Sr3 101.7(4) 6_656 6_657 ?
O2 B2 Yb3 57.5(7) 5_566 6_657 ?
O3 B2 Yb3 151.3(9) 6_656 6_657 ?
O4 B2 Yb3 72.2(9) . 6_657 ?
O4' B2 Yb3 54(3) . 6_657 ?
Sr2 B2 Yb3 101.7(4) 6_656 6_657 ?
Yb2 B2 Yb3 101.7(4) 6_656 6_657 ?
Sr3 B2 Yb3 0.00(3) 6_657 6_657 ?
O2 B2 Gd3 57.5(7) 5_566 6_657 ?
O3 B2 Gd3 151.3(9) 6_656 6_657 ?
O4 B2 Gd3 72.2(9) . 6_657 ?
O4' B2 Gd3 54(3) . 6_657 ?
Sr2 B2 Gd3 101.7(4) 6_656 6_657 ?
Gd2 B2 Gd3 101.7(4) 6_656 6_657 ?
Sr3 B2 Gd3 0.0 6_657 6_657 ?
O2 B2 Yb2 163.7(9) 5_566 . ?
O3 B2 Yb2 49.0(8) 6_656 . ?
O4 B2 Yb2 66.9(9) . . ?
O4' B2 Yb2 111(3) . . ?
Sr2 B2 Yb2 80.5(3) 6_656 . ?
Yb2 B2 Yb2 80.5(3) 6_656 . ?
Sr3 B2 Yb2 137.2(5) 6_657 . ?
Yb3 B2 Yb2 137.2(5) 6_657 . ?
O5 B3 O5 120.7(18) 7_575 . ?
O5 B3 O6 119.5(9) 7_575 . ?
O5 B3 O6 119.5(9) . . ?
O5 B3 Sr1 60.5(9) 7_575 6_557 ?
O5 B3 Sr1 60.5(9) . 6_557 ?
O6 B3 Sr1 170.4(13) . 6_557 ?
O5 B3 Yb1 60.5(9) 7_575 6_557 ?
O5 B3 Yb1 60.5(9) . 6_557 ?
O6 B3 Yb1 170.4(13) . 6_557 ?
Sr1 B3 Yb1 0.00(3) 6_557 6_557 ?
O5 B3 Gd1 60.5(9) 7_575 6_557 ?
O5 B3 Gd1 60.5(9) . 6_557 ?
O6 B3 Gd1 170.4(13) . 6_557 ?
Sr1 B3 Gd1 0.0 6_557 6_557 ?
O5 B3 Yb1 107.7(10) 7_575 . ?
O5 B3 Yb1 107.7(10) . . ?
O6 B3 Yb1 47.4(9) . . ?
Sr1 B3 Yb1 123.1(6) 6_557 . ?
Yb1 B3 Yb1 123.1(6) 6_557 . ?
O5 B3 Sr2 82.1(8) 7_575 7_575 ?
O5 B3 Sr2 154.5(11) . 7_575 ?
O6 B3 Sr2 41.2(4) . 7_575 ?
Sr1 B3 Sr2 142.0(2) 6_557 7_575 ?
Yb1 B3 Sr2 142.0(2) 6_557 7_575 ?
Gd1 B3 Sr2 142.0(2) 6_557 7_575 ?
Yb1 B3 Sr2 72.0(4) . 7_575 ?
O5 B3 Sr3 35.5(8) 7_575 7_575 ?
O5 B3 Sr3 122.5(11) . 7_575 ?
O6 B3 Sr3 103.4(7) . 7_575 ?
Sr1 B3 Sr3 71.0(3) 6_557 7_575 ?
Yb1 B3 Sr3 71.0(3) 6_557 7_575 ?
Gd1 B3 Sr3 71.0(3) 6_557 7_575 ?
Yb1 B3 Sr3 74.1(3) . 7_575 ?
Sr2 B3 Sr3 82.52(17) 7_575 7_575 ?
B1 O1 Sr1 153.8(12) . 6_656 ?
B1 O1 Gd1 153.8(12) . 6_656 ?
Sr1 O1 Gd1 0.0 6_656 6_656 ?
B1 O1 Yb1 153.8(12) . 6_656 ?
Sr1 O1 Yb1 0.000(8) 6_656 6_656 ?
B1 O1 Sr2 93.3(7) . 7_675 ?
Sr1 O1 Sr2 103.2(4) 6_656 7_675 ?
Gd1 O1 Sr2 103.2(4) 6_656 7_675 ?
Yb1 O1 Sr2 103.2(4) 6_656 7_675 ?
B1 O1 Yb2 93.3(7) . 7_675 ?
Sr1 O1 Yb2 103.2(4) 6_656 7_675 ?
Yb1 O1 Yb2 103.2(4) 6_656 7_675 ?
Sr2 O1 Yb2 0.00(5) 7_675 7_675 ?
B1 O1 Gd2 93.3(7) . 7_675 ?
Sr1 O1 Gd2 103.2(4) 6_656 7_675 ?
Gd1 O1 Gd2 103.2(4) 6_656 7_675 ?
Sr2 O1 Gd2 0.0 7_675 7_675 ?
B1 O1 Gd2 93.3(7) . 1_655 ?
Sr1 O1 Gd2 103.2(4) 6_656 1_655 ?
Gd1 O1 Gd2 103.2(4) 6_656 1_655 ?
Sr2 O1 Gd2 100.7 7_675 1_655 ?
Gd2 O1 Gd2 100.7(5) 7_675 1_655 ?
B1 O1 Yb2 93.3(7) . 1_655 ?
Sr1 O1 Yb2 103.2(4) 6_656 1_655 ?
Yb1 O1 Yb2 103.2(4) 6_656 1_655 ?
Sr2 O1 Yb2 100.7(5) 7_675 1_655 ?
Yb2 O1 Yb2 100.7(5) 7_675 1_655 ?
B1 O1 Sr2 93.3(7) . 1_655 ?
Sr1 O1 Sr2 103.2(4) 6_656 1_655 ?
Gd1 O1 Sr2 103.2(4) 6_656 1_655 ?
Yb1 O1 Sr2 103.2(4) 6_656 1_655 ?
Sr2 O1 Sr2 100.7(5) 7_675 1_655 ?
Yb2 O1 Sr2 100.7(5) 7_675 1_655 ?
Gd2 O1 Sr2 100.7(5) 7_675 1_655 ?
Gd2 O1 Sr2 0.00(5) 1_655 1_655 ?
Yb2 O1 Sr2 0.00(5) 1_655 1_655 ?
B1 O1 Sr2 75.2(7) . 6_656 ?
Sr1 O1 Sr2 84.6(3) 6_656 6_656 ?
Gd1 O1 Sr2 84.6(3) 6_656 6_656 ?
Yb1 O1 Sr2 84.6(3) 6_656 6_656 ?
Sr2 O1 Sr2 165.1(5) 7_675 6_656 ?
Yb2 O1 Sr2 165.1(5) 7_675 6_656 ?
Gd2 O1 Sr2 165.1(5) 7_675 6_656 ?
Gd2 O1 Sr2 89.65(9) 1_655 6_656 ?
Yb2 O1 Sr2 89.65(9) 1_655 6_656 ?
Sr2 O1 Sr2 89.65(9) 1_655 6_656 ?
B1 O1 Sr2 75.2(7) . 4_565 ?
Sr1 O1 Sr2 84.6(3) 6_656 4_565 ?
Gd1 O1 Sr2 84.6(3) 6_656 4_565 ?
Yb1 O1 Sr2 84.6(3) 6_656 4_565 ?
Sr2 O1 Sr2 89.65(10) 7_675 4_565 ?
Yb2 O1 Sr2 89.65(10) 7_675 4_565 ?
Gd2 O1 Sr2 89.65(10) 7_675 4_565 ?
Gd2 O1 Sr2 165.1(5) 1_655 4_565 ?
Yb2 O1 Sr2 165.1(5) 1_655 4_565 ?
Sr2 O1 Sr2 165.1(5) 1_655 4_565 ?
Sr2 O1 Sr2 78.3(3) 6_656 4_565 ?
B2 O2 O4' 56(3) 5_566 5_566 ?
B2 O2 Yb2 113.6(9) 5_566 . ?
O4' O2 Yb2 74(3) 5_566 . ?
B2 O2 Gd2 113.6(9) 5_566 . ?
O4' O2 Gd2 74(3) 5_566 . ?
B2 O2 Gd3 129.2(10) 5_566 6_557 ?
O4' O2 Gd3 175(3) 5_566 6_557 ?
Gd2 O2 Gd3 102.5(4) . 6_557 ?
B2 O2 Sr3 129.2(10) 5_566 6_557 ?
O4' O2 Sr3 175(3) 5_566 6_557 ?
Yb2 O2 Sr3 102.5(4) . 6_557 ?
Gd2 O2 Sr3 102.5(4) . 6_557 ?
Gd3 O2 Sr3 0.00(3) 6_557 6_557 ?
B2 O2 Yb3 129.2(10) 5_566 6_557 ?
O4' O2 Yb3 175(3) 5_566 6_557 ?
Yb2 O2 Yb3 102.5(4) . 6_557 ?
Sr3 O2 Yb3 0.00(3) 6_557 6_557 ?
B2 O2 Gd3 97.2(8) 5_566 2_464 ?
O4' O2 Gd3 69(3) 5_566 2_464 ?
Gd2 O2 Gd3 103.1(5) . 2_464 ?
Gd3 O2 Gd3 108.5(4) 6_557 2_464 ?
Sr3 O2 Gd3 108.5 6_557 2_464 ?
B2 O2 Sr3 97.2(8) 5_566 2_464 ?
O4' O2 Sr3 69(3) 5_566 2_464 ?
Yb2 O2 Sr3 103.1(5) . 2_464 ?
Gd2 O2 Sr3 103.1(5) . 2_464 ?
Gd3 O2 Sr3 108.5(4) 6_557 2_464 ?
Sr3 O2 Sr3 108.5(4) 6_557 2_464 ?
Yb3 O2 Sr3 108.5(4) 6_557 2_464 ?
Gd3 O2 Sr3 0.00(4) 2_464 2_464 ?
B2 O2 Yb3 97.2(8) 5_566 2_464 ?
O4' O2 Yb3 69(3) 5_566 2_464 ?
Yb2 O2 Yb3 103.1(5) . 2_464 ?
Sr3 O2 Yb3 108.5(4) 6_557 2_464 ?
Yb3 O2 Yb3 108.5(4) 6_557 2_464 ?
Sr3 O2 Yb3 0.00(4) 2_464 2_464 ?
B2 O3 Gd2 105.4(8) 6_556 . ?
B2 O3 Yb2 105.4(8) 6_556 . ?
B2 O3 Sr3 119.0(9) 6_556 2_464 ?
Gd2 O3 Sr3 108.9(5) . 2_464 ?
Yb2 O3 Sr3 108.9(5) . 2_464 ?
B2 O3 Yb3 119.0(9) 6_556 2_464 ?
Yb2 O3 Yb3 108.9(5) . 2_464 ?
Sr3 O3 Yb3 0.000(18) 2_464 2_464 ?
B2 O3 Gd3 119.0(9) 6_556 2_464 ?
Gd2 O3 Gd3 108.9(5) . 2_464 ?
Sr3 O3 Gd3 0.0 2_464 2_464 ?
B2 O3 Gd2 107.2(9) 6_556 6_556 ?
Gd2 O3 Gd2 109.9(5) . 6_556 ?
Sr3 O3 Gd2 106.3(4) 2_464 6_556 ?
Gd3 O3 Gd2 106.3(4) 2_464 6_556 ?
B2 O3 Sr2 107.2(9) 6_556 6_556 ?
Gd2 O3 Sr2 109.9 . 6_556 ?
Yb2 O3 Sr2 109.9(5) . 6_556 ?
Sr3 O3 Sr2 106.3(4) 2_464 6_556 ?
Yb3 O3 Sr2 106.3(4) 2_464 6_556 ?
Gd3 O3 Sr2 106.3(4) 2_464 6_556 ?
Gd2 O3 Sr2 0.00(2) 6_556 6_556 ?
B2 O3 Yb2 107.2(9) 6_556 6_556 ?
Yb2 O3 Yb2 109.9(5) . 6_556 ?
Sr3 O3 Yb2 106.3(4) 2_464 6_556 ?
Yb3 O3 Yb2 106.3(4) 2_464 6_556 ?
Sr2 O3 Yb2 0.00(2) 6_556 6_556 ?
O4' O4 B2 62(3) . . ?
O4' O4 Gd1 143(3) . . ?
B2 O4 Gd1 125.5(10) . . ?
O4' O4 Yb1 143(3) . . ?
B2 O4 Yb1 125.5(10) . . ?
O4' O4 Yb3 71(3) . . ?
B2 O4 Yb3 128.5(10) . . ?
Yb1 O4 Yb3 104.1(5) . . ?
O4' O4 Gd3 71(3) . . ?
B2 O4 Gd3 128.5(10) . . ?
Gd1 O4 Gd3 104.1(5) . . ?
O4' O4 Gd2 127(3) . . ?
B2 O4 Gd2 88.0(10) . . ?
Gd1 O4 Gd2 89.6(5) . . ?
Gd3 O4 Gd2 106.9(5) . . ?
O4' O4 Yb2 127(3) . . ?
B2 O4 Yb2 88.0(10) . . ?
Yb1 O4 Yb2 89.6(5) . . ?
Yb3 O4 Yb2 106.9(5) . . ?
O4' O4 Sr3 58(3) . 6_657 ?
B2 O4 Sr3 82.2(9) . 6_657 ?
Gd1 O4 Sr3 85.7(5) . 6_657 ?
Yb1 O4 Sr3 85.7(5) . 6_657 ?
Yb3 O4 Sr3 89.3(5) . 6_657 ?
Gd3 O4 Sr3 89.3 . 6_657 ?
Gd2 O4 Sr3 163.8(6) . 6_657 ?
Yb2 O4 Sr3 163.8(6) . 6_657 ?
B3 O5 Gd3 125.8(12) . . ?
B3 O5 Yb3 125.8(12) . . ?
B3 O5 Sr3 125.6(12) . 6_557 ?
Gd3 O5 Sr3 104.6 . 6_557 ?
Yb3 O5 Sr3 104.6(4) . 6_557 ?
B3 O5 Yb3 125.6(12) . 6_557 ?
Yb3 O5 Yb3 104.6(4) . 6_557 ?
Sr3 O5 Yb3 0.00(2) 6_557 6_557 ?
B3 O5 Gd3 125.6(12) . 6_557 ?
Gd3 O5 Gd3 104.6(4) . 6_557 ?
Sr3 O5 Gd3 0.0 6_557 6_557 ?
B3 O5 Gd1 92.1(9) . 6_557 ?
Gd3 O5 Gd1 95.7(5) . 6_557 ?
Sr3 O5 Gd1 103.1(5) 6_557 6_557 ?
Gd3 O5 Gd1 103.1(5) 6_557 6_557 ?
B3 O5 Sr1 92.1(9) . 6_557 ?
Gd3 O5 Sr1 95.7(5) . 6_557 ?
Yb3 O5 Sr1 95.7(5) . 6_557 ?
Sr3 O5 Sr1 103.1(5) 6_557 6_557 ?
Yb3 O5 Sr1 103.1(5) 6_557 6_557 ?
Gd3 O5 Sr1 103.1(5) 6_557 6_557 ?
Gd1 O5 Sr1 0.00(4) 6_557 6_557 ?
B3 O5 Yb1 92.1(9) . 6_557 ?
Yb3 O5 Yb1 95.7(5) . 6_557 ?
Sr3 O5 Yb1 103.1(5) 6_557 6_557 ?
Yb3 O5 Yb1 103.1(5) 6_557 6_557 ?
Sr1 O5 Yb1 0.00(4) 6_557 6_557 ?
B3 O6 Gd1 108.1(11) . . ?
B3 O6 Yb1 108.1(11) . . ?
B3 O6 Gd2 117.3(6) . . ?
Gd1 O6 Gd2 102.1(4) . . ?
B3 O6 Yb2 117.3(6) . . ?
Yb1 O6 Yb2 102.1(4) . . ?
B3 O6 Sr2 117.3(6) . 7_575 ?
Gd1 O6 Sr2 102.1(4) . 7_575 ?
Yb1 O6 Sr2 102.1(4) . 7_575 ?
Gd2 O6 Sr2 107.9 . 7_575 ?
Yb2 O6 Sr2 107.9(5) . 7_575 ?
B3 O6 Gd2 117.3(6) . 7_575 ?
Gd1 O6 Gd2 102.1(4) . 7_575 ?
Gd2 O6 Gd2 107.9(5) . 7_575 ?
Sr2 O6 Gd2 0.0 7_575 7_575 ?
B3 O6 Yb2 117.3(6) . 7_575 ?
Yb1 O6 Yb2 102.1(4) . 7_575 ?
Yb2 O6 Yb2 107.9(5) . 7_575 ?
Sr2 O6 Yb2 0.00(6) 7_575 7_575 ?
B1 O7 Gd1 88.8(7) . . ?
B1 O7 Yb1 88.8(7) . . ?
B1 O7 Sr3 139.3(9) . 6_657 ?
Gd1 O7 Sr3 91.2(3) . 6_657 ?
Yb1 O7 Sr3 91.2(3) . 6_657 ?
B1 O7 Yb3 139.3(9) . 6_657 ?
Yb1 O7 Yb3 91.2(3) . 6_657 ?
Sr3 O7 Yb3 0.00(4) 6_657 6_657 ?
B1 O7 Gd3 139.3(9) . 6_657 ?
Gd1 O7 Gd3 91.2(3) . 6_657 ?
Sr3 O7 Gd3 0.0 6_657 6_657 ?
B1 O7 Gd2 93.0(8) . 6_656 ?
Gd1 O7 Gd2 98.6(3) . 6_656 ?
Sr3 O7 Gd2 127.1(3) 6_657 6_656 ?
Gd3 O7 Gd2 127.1(3) 6_657 6_656 ?
B1 O7 Yb2 93.0(8) . 6_656 ?
Yb1 O7 Yb2 98.6(3) . 6_656 ?
Sr3 O7 Yb2 127.1(3) 6_657 6_656 ?
Yb3 O7 Yb2 127.1(3) 6_657 6_656 ?
B1 O7 Sr2 93.0(8) . 6_656 ?
Gd1 O7 Sr2 98.6(3) . 6_656 ?
Yb1 O7 Sr2 98.6(3) . 6_656 ?
Sr3 O7 Sr2 127.1(3) 6_657 6_656 ?
Yb3 O7 Sr2 127.1(3) 6_657 6_656 ?
Gd3 O7 Sr2 127.1(3) 6_657 6_656 ?
Gd2 O7 Sr2 0.00(5) 6_656 6_656 ?
Yb2 O7 Sr2 0.00(5) 6_656 6_656 ?
B1 O7 Gd2 81.2(7) . 1_655 ?
Gd1 O7 Gd2 164.3(3) . 1_655 ?
Sr3 O7 Gd2 88.7(2) 6_657 1_655 ?
Gd3 O7 Gd2 88.7(2) 6_657 1_655 ?
Gd2 O7 Gd2 93.9(3) 6_656 1_655 ?
Sr2 O7 Gd2 93.9 6_656 1_655 ?
B1 O7 Yb2 81.2(7) . 1_655 ?
Yb1 O7 Yb2 164.3(3) . 1_655 ?
Sr3 O7 Yb2 88.7(2) 6_657 1_655 ?
Yb3 O7 Yb2 88.7(2) 6_657 1_655 ?
Yb2 O7 Yb2 93.9(3) 6_656 1_655 ?
Sr2 O7 Yb2 93.9(3) 6_656 1_655 ?
O4 O4' B2 59(3) . . ?
O4 O4' O2 108(5) . 5_566 ?
B2 O4' O2 53(3) . 5_566 ?
O4 O4' Yb3 78(3) . . ?
B2 O4' Yb3 133(4) . . ?
O2 O4' Yb3 173(4) 5_566 . ?
O4 O4' Gd3 78(3) . . ?
B2 O4' Gd3 133(4) . . ?
O2 O4' Gd3 173(4) 5_566 . ?
O4 O4' Gd2 159(5) . 5_566 ?
B2 O4' Gd2 108(4) . 5_566 ?
O2 O4' Gd2 69(3) 5_566 5_566 ?
Gd3 O4' Gd2 105(3) . 5_566 ?
O4 O4' Yb2 159(5) . 5_566 ?
B2 O4' Yb2 108(4) . 5_566 ?
O2 O4' Yb2 69(3) 5_566 5_566 ?
Yb3 O4' Yb2 105(3) . 5_566 ?
O4 O4' Sr2 159(5) . 5_566 ?
B2 O4' Sr2 108(4) . 5_566 ?
O2 O4' Sr2 69(3) 5_566 5_566 ?
Yb3 O4' Sr2 105(3) . 5_566 ?
Gd3 O4' Sr2 105(3) . 5_566 ?
Gd2 O4' Sr2 0.00(4) 5_566 5_566 ?
Yb2 O4' Sr2 0.00(4) 5_566 5_566 ?
O4 O4' Gd3 95(4) . 6_657 ?
B2 O4' Gd3 100(4) . 6_657 ?
O2 O4' Gd3 76(3) 5_566 6_657 ?
Gd3 O4' Gd3 102(3) . 6_657 ?
Gd2 O4' Gd3 104(2) 5_566 6_657 ?
Sr2 O4' Gd3 104(2) 5_566 6_657 ?
O4 O4' Yb3 95(4) . 6_657 ?
B2 O4' Yb3 100(4) . 6_657 ?
O2 O4' Yb3 76(3) 5_566 6_657 ?
Yb3 O4' Yb3 102(3) . 6_657 ?
Yb2 O4' Yb3 104(2) 5_566 6_657 ?
Sr2 O4' Yb3 104(2) 5_566 6_657 ?
O4 O4' Sr3 95(4) . 6_657 ?
B2 O4' Sr3 100(4) . 6_657 ?
O2 O4' Sr3 76(3) 5_566 6_657 ?
Yb3 O4' Sr3 102(3) . 6_657 ?
Gd3 O4' Sr3 102.4 . 6_657 ?
Gd2 O4' Sr3 104(2) 5_566 6_657 ?
Yb2 O4' Sr3 104(2) 5_566 6_657 ?
Sr2 O4' Sr3 104(2) 5_566 6_657 ?
Gd3 O4' Sr3 0.00(5) 6_657 6_657 ?
Yb3 O4' Sr3 0.00(5) 6_657 6_657 ?

_refine_diff_density_max         2.871
_refine_diff_density_min         -2.963
_refine_diff_density_rms         0.378

