#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:09:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178771 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/25/4102590.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4102590
loop_
_publ_author_name
'Peng Wang'
'Scott Forbes'
'Taras Kolodiazhnyi'
'Kosuke Kosuda'
'Yurij Mozharivskyj'
_publ_section_title
;
 Synthesis, Crystal and Electronic Structures of New Narrow-Band-Gap
 Semiconducting Antimonide Oxides RE3SbO3 and RE8Sb3-\dO8, with RE = La,
 Sm, Gd, and Ho
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8795
_journal_page_last               8803
_journal_paper_doi               10.1021/ja1027698
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'Gd3 O3 Sb'
_chemical_formula_weight         641.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.40(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.272(3)
_cell_length_b                   3.8971(8)
_cell_length_c                   11.878(2)
_cell_measurement_reflns_used    7034
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      69.4
_cell_measurement_theta_min      6.4
_cell_volume                     540.4(2)
_computing_cell_refinement       X-Area
_computing_data_collection       X-Area
_computing_data_reduction        X-Red32
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.927
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device_type  'STOE IPDSII'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1366
_diffrn_reflns_av_sigmaI/netI    0.1258
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            3515
_diffrn_reflns_theta_full        34.39
_diffrn_reflns_theta_max         34.39
_diffrn_reflns_theta_min         4.74
_exptl_absorpt_coefficient_mu    41.165
_exptl_absorpt_correction_T_max  0.5304
_exptl_absorpt_correction_T_min  0.2094
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-Red
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    7.884
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.027
_exptl_crystal_size_mid          0.026
_exptl_crystal_size_min          0.019
_refine_diff_density_max         6.947
_refine_diff_density_min         -6.426
_refine_diff_density_rms         1.008
_refine_ls_extinction_coef       0.0007(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.1090
_refine_ls_R_factor_gt           0.0664
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0634P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1347
_refine_ls_wR_factor_ref         0.1475
_reflns_number_gt                802
_reflns_number_total             1174
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1027698_si_005.cif
_cod_data_source_block           c2m
_cod_original_cell_volume        540.43(19)
_cod_database_code               4102590
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Gd1 Gd 0.11969(9) 0.0000 0.44340(14) 0.0092(3) Uani 1 2 d S
Gd2 Gd 0.34330(10) 0.0000 0.79322(14) 0.0096(3) Uani 1 2 d S
Gd3 Gd 0.87231(10) 0.0000 0.09972(14) 0.0104(3) Uani 1 2 d S
Sb1 Sb 0.38102(14) 0.0000 0.3190(2) 0.0107(3) Uani 1 2 d S
O1 O 0.3101(16) 0.0000 0.591(2) 0.012(4) Uani 1 2 d S
O2 O 0.3346(19) 0.0000 0.982(2) 0.016(4) Uani 1 2 d S
O3 O 0.9350(15) 0.0000 0.801(2) 0.018(4) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
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
O1 Gd1 O1 117.5(7) 7_556 7_546
O1 Gd1 O1 75.0(6) 7_556 .
O1 Gd1 O1 75.0(6) 7_546 .
O1 Gd1 O3 74.0(5) 7_556 5_656
O1 Gd1 O3 74.0(5) 7_546 5_656
O1 Gd1 O3 117.9(6) . 5_656
O1 Gd1 Sb1 142.0(5) 7_556 3_445
O1 Gd1 Sb1 78.9(4) 7_546 3_445
O1 Gd1 Sb1 142.50(17) . 3_445
O3 Gd1 Sb1 79.0(3) 5_656 3_445
O1 Gd1 Sb1 78.9(4) 7_556 3_455
O1 Gd1 Sb1 142.0(5) 7_546 3_455
O1 Gd1 Sb1 142.50(17) . 3_455
O3 Gd1 Sb1 79.0(3) 5_656 3_455
Sb1 Gd1 Sb1 69.92(5) 3_445 3_455
O1 Gd1 Sb1 79.8(5) 7_556 7_556
O1 Gd1 Sb1 142.5(5) 7_546 7_556
O1 Gd1 Sb1 78.7(4) . 7_556
O3 Gd1 Sb1 142.96(13) 5_656 7_556
Sb1 Gd1 Sb1 108.44(5) 3_445 7_556
Sb1 Gd1 Sb1 70.48(7) 3_455 7_556
O1 Gd1 Sb1 142.5(5) 7_556 7_546
O1 Gd1 Sb1 79.8(5) 7_546 7_546
O1 Gd1 Sb1 78.7(4) . 7_546
O3 Gd1 Sb1 142.96(13) 5_656 7_546
Sb1 Gd1 Sb1 70.48(7) 3_445 7_546
Sb1 Gd1 Sb1 108.44(5) 3_455 7_546
Sb1 Gd1 Sb1 69.16(4) 7_556 7_546
O1 Gd1 Gd1 37.6(5) 7_556 7_556
O1 Gd1 Gd1 97.3(4) 7_546 7_556
O1 Gd1 Gd1 37.4(2) . 7_556
O3 Gd1 Gd1 97.1(3) 5_656 7_556
Sb1 Gd1 Gd1 175.14(7) 3_445 7_556
Sb1 Gd1 Gd1 112.36(3) 3_455 7_556
Sb1 Gd1 Gd1 76.42(5) 7_556 7_556
Sb1 Gd1 Gd1 112.04(7) 7_546 7_556
O1 Gd1 Gd1 97.3(4) 7_556 7_546
O1 Gd1 Gd1 37.6(5) 7_546 7_546
O1 Gd1 Gd1 37.4(2) . 7_546
O3 Gd1 Gd1 97.1(3) 5_656 7_546
Sb1 Gd1 Gd1 112.36(3) 3_445 7_546
Sb1 Gd1 Gd1 175.14(7) 3_455 7_546
Sb1 Gd1 Gd1 112.04(7) 7_556 7_546
Sb1 Gd1 Gd1 76.42(5) 7_546 7_546
Gd1 Gd1 Gd1 65.02(4) 7_556 7_546
O1 Gd1 Gd2 95.9(4) 7_556 7_546
O1 Gd1 Gd2 35.6(5) 7_546 7_546
O1 Gd1 Gd2 94.9(4) . 7_546
O3 Gd1 Gd2 38.50(19) 5_656 7_546
Sb1 Gd1 Gd2 78.32(4) 3_445 7_546
Sb1 Gd1 Gd2 114.27(6) 3_455 7_546
Sb1 Gd1 Gd2 173.04(4) 7_556 7_546
Sb1 Gd1 Gd2 112.64(3) 7_546 7_546
Gd1 Gd1 Gd2 96.82(5) 7_556 7_546
Gd1 Gd1 Gd2 62.83(4) 7_546 7_546
O1 Gd1 Gd2 35.6(5) 7_556 7_556
O1 Gd1 Gd2 95.9(4) 7_546 7_556
O1 Gd1 Gd2 94.9(4) . 7_556
O3 Gd1 Gd2 38.50(19) 5_656 7_556
Sb1 Gd1 Gd2 114.27(6) 3_445 7_556
Sb1 Gd1 Gd2 78.32(4) 3_455 7_556
Sb1 Gd1 Gd2 112.64(3) 7_556 7_556
Sb1 Gd1 Gd2 173.04(4) 7_546 7_556
Gd1 Gd1 Gd2 62.83(4) 7_556 7_556
Gd1 Gd1 Gd2 96.82(5) 7_546 7_556
Gd2 Gd1 Gd2 64.73(3) 7_546 7_556
O1 Gd2 O3 82.7(7) . 3_455
O1 Gd2 O3 82.7(7) . 3_445
O3 Gd2 O3 117.8(8) 3_455 3_445
O1 Gd2 O2 167.4(8) . .
O3 Gd2 O2 103.5(7) 3_455 .
O3 Gd2 O2 103.5(7) 3_445 .
O1 Gd2 Sb1 83.4(4) . 7_546
O3 Gd2 Sb1 153.4(5) 3_455 7_546
O3 Gd2 Sb1 82.6(4) 3_445 7_546
O2 Gd2 Sb1 86.5(5) . 7_546
O1 Gd2 Sb1 83.4(4) . 7_556
O3 Gd2 Sb1 82.6(4) 3_455 7_556
O3 Gd2 Sb1 153.4(5) 3_445 7_556
O2 Gd2 Sb1 86.5(5) . 7_556
Sb1 Gd2 Sb1 73.27(5) 7_546 7_556
O1 Gd2 Gd1 36.6(2) . 7_546
O3 Gd2 Gd1 103.0(6) 3_455 7_546
O3 Gd2 Gd1 46.2(7) 3_445 7_546
O2 Gd2 Gd1 147.21(9) . 7_546
Sb1 Gd2 Gd1 78.29(4) 7_546 7_546
Sb1 Gd2 Gd1 115.84(6) 7_556 7_546
O1 Gd2 Gd1 36.6(2) . 7_556
O3 Gd2 Gd1 46.2(7) 3_455 7_556
O3 Gd2 Gd1 103.0(6) 3_445 7_556
O2 Gd2 Gd1 147.21(9) . 7_556
Sb1 Gd2 Gd1 115.84(6) 7_546 7_556
Sb1 Gd2 Gd1 78.29(4) 7_556 7_556
Gd1 Gd2 Gd1 64.73(3) 7_546 7_556
O1 Gd2 Gd3 126.3(5) . 5_656
O3 Gd2 Gd3 118.6(5) 3_455 5_656
O3 Gd2 Gd3 118.6(5) 3_445 5_656
O2 Gd2 Gd3 41.2(6) . 5_656
Sb1 Gd2 Gd3 55.06(4) 7_546 5_656
Sb1 Gd2 Gd3 55.06(4) 7_556 5_656
Gd1 Gd2 Gd3 133.35(4) 7_546 5_656
Gd1 Gd2 Gd3 133.35(4) 7_556 5_656
O1 Gd2 Gd1 33.5(5) . .
O3 Gd2 Gd1 99.8(6) 3_455 .
O3 Gd2 Gd1 99.8(6) 3_445 .
O2 Gd2 Gd1 133.9(6) . .
Sb1 Gd2 Gd1 57.69(5) 7_546 .
Sb1 Gd2 Gd1 57.69(5) 7_556 .
Gd1 Gd2 Gd1 58.40(3) 7_546 .
Gd1 Gd2 Gd1 58.40(3) 7_556 .
Gd3 Gd2 Gd1 92.70(4) 5_656 .
O1 Gd2 Gd3 90.9(4) . 7_656
O3 Gd2 Gd3 30.6(4) 3_455 7_656
O3 Gd2 Gd3 89.9(4) 3_445 7_656
O2 Gd2 Gd3 99.9(5) . 7_656
Sb1 Gd2 Gd3 171.16(4) 7_546 7_656
Sb1 Gd2 Gd3 112.93(3) 7_556 7_656
Gd1 Gd2 Gd3 93.12(4) 7_546 7_656
Gd1 Gd2 Gd3 61.15(4) 7_556 7_656
Gd3 Gd2 Gd3 133.47(5) 5_656 7_656
Gd1 Gd2 Gd3 119.44(4) . 7_656
O1 Gd2 Gd3 90.9(4) . 7_646
O3 Gd2 Gd3 89.9(4) 3_455 7_646
O3 Gd2 Gd3 30.6(4) 3_445 7_646
O2 Gd2 Gd3 99.9(5) . 7_646
Sb1 Gd2 Gd3 112.93(3) 7_546 7_646
Sb1 Gd2 Gd3 171.16(4) 7_556 7_646
Gd1 Gd2 Gd3 61.15(4) 7_546 7_646
Gd1 Gd2 Gd3 93.12(4) 7_556 7_646
Gd3 Gd2 Gd3 133.47(5) 5_656 7_646
Gd1 Gd2 Gd3 119.44(4) . 7_646
Gd3 Gd2 Gd3 60.20(3) 7_656 7_646
O3 Gd3 O2 100.5(6) 5_756 3_544
O3 Gd3 O2 100.5(6) 5_756 3_554
O2 Gd3 O2 115.1(10) 3_544 3_554
O3 Gd3 O2 173.1(9) 5_756 5_656
O2 Gd3 O2 83.1(5) 3_544 5_656
O2 Gd3 O2 83.1(5) 3_554 5_656
O3 Gd3 Sb1 89.0(5) 5_756 3
O2 Gd3 Sb1 156.4(4) 3_544 3
O2 Gd3 Sb1 83.8(5) 3_554 3
O2 Gd3 Sb1 85.6(4) 5_656 3
O3 Gd3 Sb1 89.0(5) 5_756 3_545
O2 Gd3 Sb1 83.8(5) 3_544 3_545
O2 Gd3 Sb1 156.4(4) 3_554 3_545
O2 Gd3 Sb1 85.6(4) 5_656 3_545
Sb1 Gd3 Sb1 74.73(6) 3 3_545
O3 Gd3 Gd3 143.1(3) 5_756 7_645
O2 Gd3 Gd3 42.9(5) 3_544 7_645
O2 Gd3 Gd3 101.1(6) 3_554 7_645
O2 Gd3 Gd3 40.2(3) 5_656 7_645
Sb1 Gd3 Gd3 122.85(6) 3 7_645
Sb1 Gd3 Gd3 82.94(5) 3_545 7_645
O3 Gd3 Gd3 143.1(3) 5_756 7_655
O2 Gd3 Gd3 101.1(6) 3_544 7_655
O2 Gd3 Gd3 42.9(5) 3_554 7_655
O2 Gd3 Gd3 40.2(3) 5_656 7_655
Sb1 Gd3 Gd3 82.94(5) 3 7_655
Sb1 Gd3 Gd3 122.85(6) 3_545 7_655
Gd3 Gd3 Gd3 66.49(5) 7_645 7_655
O3 Gd3 Gd2 134.7(7) 5_756 5_656
O2 Gd3 Gd2 103.4(4) 3_544 5_656
O2 Gd3 Gd2 103.4(4) 3_554 5_656
O2 Gd3 Gd2 38.4(5) 5_656 5_656
Sb1 Gd3 Gd2 56.49(4) 3 5_656
Sb1 Gd3 Gd2 56.49(4) 3_545 5_656
Gd3 Gd3 Gd2 67.20(4) 7_645 5_656
Gd3 Gd3 Gd2 67.20(4) 7_655 5_656
O3 Gd3 Gd1 42.1(7) 5_756 1_655
O2 Gd3 Gd1 118.3(6) 3_544 1_655
O2 Gd3 Gd1 118.3(6) 3_554 1_655
O2 Gd3 Gd1 131.0(5) 5_656 1_655
Sb1 Gd3 Gd1 56.90(4) 3 1_655
Sb1 Gd3 Gd1 56.90(4) 3_545 1_655
Gd3 Gd3 Gd1 139.29(5) 7_645 1_655
Gd3 Gd3 Gd1 139.29(5) 7_655 1_655
Gd2 Gd3 Gd1 92.60(5) 5_656 1_655
O3 Gd3 Gd2 31.04(16) 5_756 7_656
O2 Gd3 Gd2 121.2(5) 3_544 7_656
O2 Gd3 Gd2 70.9(5) 3_554 7_656
O2 Gd3 Gd2 149.88(2) 5_656 7_656
Sb1 Gd3 Gd2 77.03(4) 3 7_656
Sb1 Gd3 Gd2 112.60(6) 3_545 7_656
Gd3 Gd3 Gd2 158.49(7) 7_645 7_656
Gd3 Gd3 Gd2 112.36(3) 7_655 7_656
Gd2 Gd3 Gd2 133.47(5) 5_656 7_656
Gd1 Gd3 Gd2 56.27(4) 1_655 7_656
O3 Gd3 Gd2 31.04(16) 5_756 7_646
O2 Gd3 Gd2 70.9(5) 3_544 7_646
O2 Gd3 Gd2 121.2(5) 3_554 7_646
O2 Gd3 Gd2 149.88(2) 5_656 7_646
Sb1 Gd3 Gd2 112.60(6) 3 7_646
Sb1 Gd3 Gd2 77.03(4) 3_545 7_646
Gd3 Gd3 Gd2 112.36(3) 7_645 7_646
Gd3 Gd3 Gd2 158.49(7) 7_655 7_646
Gd2 Gd3 Gd2 133.47(5) 5_656 7_646
Gd1 Gd3 Gd2 56.27(4) 1_655 7_646
Gd2 Gd3 Gd2 60.20(3) 7_656 7_646
Gd3 Sb1 Gd3 74.73(6) 3_445 3_455
Gd3 Sb1 Gd2 68.45(4) 3_445 7_546
Gd3 Sb1 Gd2 110.91(8) 3_455 7_546
Gd3 Sb1 Gd2 110.91(8) 3_445 7_556
Gd3 Sb1 Gd2 68.45(4) 3_455 7_556
Gd2 Sb1 Gd2 73.27(5) 7_546 7_556
Gd3 Sb1 Gd1 111.53(6) 3_445 3
Gd3 Sb1 Gd1 70.82(5) 3_455 3
Gd2 Sb1 Gd1 178.06(6) 7_546 3
Gd2 Sb1 Gd1 108.39(3) 7_556 3
Gd3 Sb1 Gd1 70.82(5) 3_445 3_545
Gd3 Sb1 Gd1 111.53(6) 3_455 3_545
Gd2 Sb1 Gd1 108.39(3) 7_546 3_545
Gd2 Sb1 Gd1 178.06(6) 7_556 3_545
Gd1 Sb1 Gd1 69.93(5) 3 3_545
Gd3 Sb1 Gd1 176.58(4) 3_445 7_556
Gd3 Sb1 Gd1 108.02(3) 3_455 7_556
Gd2 Sb1 Gd1 108.41(5) 7_546 7_556
Gd2 Sb1 Gd1 68.81(5) 7_556 7_556
Gd1 Sb1 Gd1 71.56(5) 3 7_556
Gd1 Sb1 Gd1 109.52(7) 3_545 7_556
Gd3 Sb1 Gd1 108.02(3) 3_445 7_546
Gd3 Sb1 Gd1 176.58(4) 3_455 7_546
Gd2 Sb1 Gd1 68.81(5) 7_546 7_546
Gd2 Sb1 Gd1 108.41(5) 7_556 7_546
Gd1 Sb1 Gd1 109.52(7) 3 7_546
Gd1 Sb1 Gd1 71.56(5) 3_545 7_546
Gd1 Sb1 Gd1 69.16(4) 7_556 7_546
Gd2 O1 Gd1 107.8(6) . 7_556
Gd2 O1 Gd1 107.8(6) . 7_546
Gd1 O1 Gd1 117.5(7) 7_556 7_546
Gd2 O1 Gd1 114.0(7) . .
Gd1 O1 Gd1 105.0(6) 7_556 .
Gd1 O1 Gd1 105.0(6) 7_546 .
Gd2 O2 Gd3 119.5(4) . 3_456
Gd2 O2 Gd3 119.5(4) . 3_446
Gd3 O2 Gd3 115.1(10) 3_456 3_446
Gd2 O2 Gd3 100.4(9) . 5_656
Gd3 O2 Gd3 96.9(5) 3_456 5_656
Gd3 O2 Gd3 96.9(5) 3_446 5_656
Gd3 O3 Gd2 118.3(5) 5_756 3_545
Gd3 O3 Gd2 118.3(5) 5_756 3
Gd2 O3 Gd2 117.8(8) 3_545 3
Gd3 O3 Gd1 103.0(9) 5_756 5_656
Gd2 O3 Gd1 95.3(7) 3_545 5_656
Gd2 O3 Gd1 95.3(7) 3 5_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.279(9) 7_556
Gd1 O1 2.279(9) 7_546
Gd1 O1 2.29(2) .
Gd1 O3 2.64(3) 5_656
Gd1 Sb1 3.4004(19) 3_445
Gd1 Sb1 3.4004(19) 3_455
Gd1 Sb1 3.4331(19) 7_556
Gd1 Sb1 3.4331(19) 7_546
Gd1 Gd1 3.626(2) 7_556
Gd1 Gd1 3.626(2) 7_546
Gd1 Gd2 3.6401(16) 7_546
Gd1 Gd2 3.6401(16) 7_556
Gd2 O1 2.23(2) .
Gd2 O3 2.276(10) 3_455
Gd2 O3 2.276(9) 3_445
Gd2 O2 2.30(2) .
Gd2 Sb1 3.2654(18) 7_546
Gd2 Sb1 3.2654(18) 7_556
Gd2 Gd1 3.6401(16) 7_546
Gd2 Gd1 3.6401(16) 7_556
Gd2 Gd3 3.6424(18) 5_656
Gd2 Gd3 3.8852(16) 7_656
Gd2 Gd3 3.8852(16) 7_646
Gd3 O3 2.250(17) 5_756
Gd3 O2 2.310(13) 3_544
Gd3 O2 2.310(13) 3_554
Gd3 O2 2.44(2) 5_656
Gd3 Sb1 3.211(2) 3
Gd3 Sb1 3.211(2) 3_545
Gd3 Gd3 3.554(2) 7_645
Gd3 Gd3 3.554(2) 7_655
Gd3 Gd2 3.6424(18) 5_656
Gd3 Gd1 3.834(3) 1_655
Gd3 Gd2 3.8852(16) 7_656
Gd3 Gd2 3.8852(16) 7_646
Sb1 Gd3 3.211(2) 3_445
Sb1 Gd3 3.211(2) 3_455
Sb1 Gd2 3.2654(18) 7_546
Sb1 Gd2 3.2654(18) 7_556
Sb1 Gd1 3.4004(19) 3
Sb1 Gd1 3.4004(19) 3_545
Sb1 Gd1 3.4331(19) 7_556
Sb1 Gd1 3.4331(19) 7_546
O1 Gd1 2.279(9) 7_556
O1 Gd1 2.279(9) 7_546
O2 Gd3 2.310(13) 3_456
O2 Gd3 2.310(13) 3_446
O2 Gd3 2.44(2) 5_656
O3 Gd3 2.250(17) 5_756
O3 Gd2 2.276(9) 3_545
O3 Gd2 2.276(9) 3
O3 Gd1 2.64(3) 5_656
