#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:09:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178771 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/25/4102591.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_4102591
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            'Gd8 O8 Sb3'
_chemical_formula_weight         1751.25
_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                 107.05(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.394(3)
_cell_length_b                   3.8191(8)
_cell_length_c                   15.104(3)
_cell_measurement_reflns_used    9540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      75.0
_cell_measurement_theta_min      7.2
_cell_volume                     738.7(3)
_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 0.975
_diffrn_measured_fraction_theta_max 0.975
_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  0.0700
_diffrn_reflns_av_sigmaI/netI    0.0928
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            4768
_diffrn_reflns_theta_full        37.22
_diffrn_reflns_theta_max         37.22
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    40.755
_exptl_absorpt_correction_T_max  0.2313
_exptl_absorpt_correction_T_min  0.0955
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   X-Red
_exptl_crystal_colour            Balck
_exptl_crystal_density_diffrn    7.874
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1458
_exptl_crystal_size_max          0.032
_exptl_crystal_size_mid          0.029
_exptl_crystal_size_min          0.013
_refine_diff_density_max         4.381
_refine_diff_density_min         -4.587
_refine_diff_density_rms         0.833
_refine_ls_extinction_coef       0.00067(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_matrix_type           full
_refine_ls_number_parameters     61
_refine_ls_number_reflns         2079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.922
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0463
_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)+(0.0404P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0963
_reflns_number_gt                1331
_reflns_number_total             2079
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1027698_si_006.cif
_cod_data_source_block           c2m
_cod_database_code               4102591
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 0.71885(6) 0.0000 0.08897(5) 0.00810(13) Uani 1 2 d S
Gd2 Gd 0.45647(6) 0.0000 0.16875(5) 0.01233(15) Uani 1 2 d S
Gd3 Gd 0.87693(5) 0.0000 0.34692(5) 0.00857(14) Uani 1 2 d S
Gd4 Gd 0.64302(5) 0.0000 0.43040(5) 0.01071(15) Uani 1 2 d S
Sb1 Sb 0.17154(8) 0.0000 0.26711(7) 0.0158(2) Uani 1 2 d S
Sb2 Sb 0.0000 0.0533(11) 0.0000 0.0166(9) Uani 0.50 2 d SP
O1 O 0.4703(9) 0.0000 0.3677(11) 0.023(3) Uani 1 2 d S
O2 O 0.8824(8) 0.0000 0.2016(6) 0.0088(16) Uani 1 2 d S
O3 O 0.2983(8) 0.0000 0.0676(6) 0.0086(16) Uani 1 2 d S
O4 O 0.1656(8) 0.0000 0.5139(6) 0.0084(16) 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
O3 Gd1 O3 115.7(4) 3 3_545
O3 Gd1 O3 76.3(3) 3 5_655
O3 Gd1 O3 76.3(3) 3_545 5_655
O3 Gd1 O2 74.0(3) 3 .
O3 Gd1 O2 74.0(3) 3_545 .
O3 Gd1 O2 122.3(3) 5_655 .
O3 Gd1 Sb2 140.9(2) 3 3_545
O3 Gd1 Sb2 84.5(2) 3_545 3_545
O3 Gd1 Sb2 76.9(2) 5_655 3_545
O2 Gd1 Sb2 145.08(12) . 3_545
O3 Gd1 Sb2 84.5(2) 3 7
O3 Gd1 Sb2 140.9(2) 3_545 7
O3 Gd1 Sb2 76.9(2) 5_655 7
O2 Gd1 Sb2 145.08(12) . 7
Sb2 Gd1 Sb2 61.91(13) 3_545 7
O3 Gd1 Sb1 81.2(2) 3 3
O3 Gd1 Sb1 140.4(2) 3_545 3
O3 Gd1 Sb1 143.16(11) 5_655 3
O2 Gd1 Sb1 77.5(2) . 3
Sb2 Gd1 Sb1 104.71(4) 3_545 3
Sb2 Gd1 Sb1 72.15(4) 7 3
O3 Gd1 Sb1 140.4(2) 3 3_545
O3 Gd1 Sb1 81.2(2) 3_545 3_545
O3 Gd1 Sb1 143.16(11) 5_655 3_545
O2 Gd1 Sb1 77.5(2) . 3_545
Sb2 Gd1 Sb1 72.15(4) 3_545 3_545
Sb2 Gd1 Sb1 104.71(4) 7 3_545
Sb1 Gd1 Sb1 66.02(3) 3 3_545
O3 Gd1 Sb2 145.5(2) 3 7_545
O3 Gd1 Sb2 79.3(2) 3_545 7_545
O3 Gd1 Sb2 77.8(2) 5_655 7_545
O2 Gd1 Sb2 140.13(10) . 7_545
Sb2 Gd1 Sb2 5.65(12) 3_545 7_545
Sb2 Gd1 Sb2 67.57(2) 7 7_545
Sb1 Gd1 Sb2 107.48(4) 3 7_545
Sb1 Gd1 Sb2 69.55(4) 3_545 7_545
O3 Gd1 Sb2 79.3(2) 3 3
O3 Gd1 Sb2 145.5(2) 3_545 3
O3 Gd1 Sb2 77.8(2) 5_655 3
O2 Gd1 Sb2 140.13(10) . 3
Sb2 Gd1 Sb2 67.57(2) 3_545 3
Sb2 Gd1 Sb2 5.65(12) 7 3
Sb1 Gd1 Sb2 69.55(4) 3 3
Sb1 Gd1 Sb2 107.48(4) 3_545 3
Sb2 Gd1 Sb2 73.22(11) 7_545 3
O3 Gd1 Gd1 96.9(2) 3 7_645
O3 Gd1 Gd1 38.7(2) 3_545 7_645
O3 Gd1 Gd1 37.62(12) 5_655 7_645
O2 Gd1 Gd1 99.8(2) . 7_645
Sb2 Gd1 Gd1 78.16(4) 3_545 7_645
Sb2 Gd1 Gd1 110.01(5) 7 7_645
Sb1 Gd1 Gd1 177.07(4) 3 7_645
Sb1 Gd1 Gd1 114.771(19) 3_545 7_645
Sb2 Gd1 Gd1 75.34(4) 7_545 7_645
Sb2 Gd1 Gd1 112.42(4) 3 7_645
O3 Gd1 Gd1 38.7(2) 3 7_655
O3 Gd1 Gd1 96.9(2) 3_545 7_655
O3 Gd1 Gd1 37.62(12) 5_655 7_655
O2 Gd1 Gd1 99.8(2) . 7_655
Sb2 Gd1 Gd1 110.01(5) 3_545 7_655
Sb2 Gd1 Gd1 78.16(4) 7 7_655
Sb1 Gd1 Gd1 114.771(18) 3 7_655
Sb1 Gd1 Gd1 177.07(4) 3_545 7_655
Sb2 Gd1 Gd1 112.42(4) 7_545 7_655
Sb2 Gd1 Gd1 75.34(4) 3 7_655
Gd1 Gd1 Gd1 64.29(3) 7_645 7_655
O3 Gd2 O2 76.2(3) . 3_445
O3 Gd2 O2 76.2(3) . 3_455
O2 Gd2 O2 114.3(4) 3_445 3_455
O3 Gd2 Sb2 79.4(2) . 3_545
O2 Gd2 Sb2 85.5(2) 3_445 3_545
O2 Gd2 Sb2 143.2(2) 3_455 3_545
O3 Gd2 Sb2 79.4(2) . 7
O2 Gd2 Sb2 143.2(2) 3_445 7
O2 Gd2 Sb2 85.5(2) 3_455 7
Sb2 Gd2 Sb2 63.14(13) 3_545 7
O3 Gd2 Sb1 144.44(7) . 3
O2 Gd2 Sb1 137.9(2) 3_445 3
O2 Gd2 Sb1 78.6(2) 3_455 3
Sb2 Gd2 Sb1 108.16(5) 3_545 3
Sb2 Gd2 Sb1 74.08(4) 7 3
O3 Gd2 Sb1 144.44(7) . 3_545
O2 Gd2 Sb1 78.6(2) 3_445 3_545
O2 Gd2 Sb1 137.9(2) 3_455 3_545
Sb2 Gd2 Sb1 74.08(4) 3_545 3_545
Sb2 Gd2 Sb1 108.16(5) 7 3_545
Sb1 Gd2 Sb1 68.06(3) 3 3_545
O3 Gd2 Sb2 80.1(2) . 7_545
O2 Gd2 Sb2 80.1(2) 3_445 7_545
O2 Gd2 Sb2 147.7(2) 3_455 7_545
Sb2 Gd2 Sb2 5.71(12) 3_545 7_545
Sb2 Gd2 Sb2 68.85(2) 7 7_545
Sb1 Gd2 Sb2 110.88(4) 3 7_545
Sb1 Gd2 Sb2 71.24(4) 3_545 7_545
O3 Gd2 Sb2 80.1(2) . 3
O2 Gd2 Sb2 147.7(2) 3_445 3
O2 Gd2 Sb2 80.1(2) 3_455 3
Sb2 Gd2 Sb2 68.85(2) 3_545 3
Sb2 Gd2 Sb2 5.71(12) 7 3
Sb1 Gd2 Sb2 71.24(4) 3 3
Sb1 Gd2 Sb2 110.88(4) 3_545 3
Sb2 Gd2 Sb2 74.55(11) 7_545 3
O3 Gd2 Gd1 36.70(12) . 3_445
O2 Gd2 Gd1 39.5(2) 3_445 3_445
O2 Gd2 Gd1 96.8(2) 3_455 3_445
Sb2 Gd2 Gd1 78.70(4) 3_545 3_445
Sb2 Gd2 Gd1 111.04(4) 7 3_445
Sb1 Gd2 Gd1 173.00(3) 3 3_445
Sb1 Gd2 Gd1 113.53(2) 3_545 3_445
Sb2 Gd2 Gd1 75.83(4) 7_545 3_445
Sb2 Gd2 Gd1 113.40(4) 3 3_445
O3 Gd2 Gd1 36.70(12) . 3_455
O2 Gd2 Gd1 96.8(2) 3_445 3_455
O2 Gd2 Gd1 39.5(2) 3_455 3_455
Sb2 Gd2 Gd1 111.04(4) 3_545 3_455
Sb2 Gd2 Gd1 78.70(4) 7 3_455
Sb1 Gd2 Gd1 113.53(2) 3 3_455
Sb1 Gd2 Gd1 173.00(3) 3_545 3_455
Sb2 Gd2 Gd1 113.40(4) 7_545 3_455
Sb2 Gd2 Gd1 75.83(4) 3 3_455
Gd1 Gd2 Gd1 64.01(2) 3_445 3_455
O3 Gd2 Gd3 94.6(2) . 3_455
O2 Gd2 Gd3 92.1(2) 3_445 3_455
O2 Gd2 Gd3 34.0(2) 3_455 3_455
Sb2 Gd2 Gd3 173.87(3) 3_545 3_455
Sb2 Gd2 Gd3 117.01(7) 7 3_455
Sb1 Gd2 Gd3 77.35(3) 3 3_455
Sb1 Gd2 Gd3 111.00(3) 3_545 3_455
Sb2 Gd2 Gd3 171.42(4) 7_545 3_455
Sb2 Gd2 Gd3 111.34(6) 3 3_455
Gd1 Gd2 Gd3 95.87(3) 3_445 3_455
Gd1 Gd2 Gd3 63.60(3) 3_455 3_455
O2 Gd3 O1 87.7(4) . 3
O2 Gd3 O1 87.7(4) . 3_545
O1 Gd3 O1 115.8(5) 3 3_545
O2 Gd3 O4 168.3(4) . 5_656
O1 Gd3 O4 98.4(4) 3 5_656
O1 Gd3 O4 98.4(4) 3_545 5_656
O2 Gd3 Sb1 84.5(2) . 3_545
O1 Gd3 Sb1 156.5(3) 3 3_545
O1 Gd3 Sb1 85.9(3) 3_545 3_545
O4 Gd3 Sb1 86.0(2) 5_656 3_545
O2 Gd3 Sb1 84.5(2) . 3
O1 Gd3 Sb1 85.9(2) 3 3
O1 Gd3 Sb1 156.5(3) 3_545 3
O4 Gd3 Sb1 86.0(2) 5_656 3
Sb1 Gd3 Sb1 71.34(3) 3_545 3
O2 Gd3 Gd2 34.96(12) . 3_545
O1 Gd3 Gd2 105.8(4) 3 3_545
O1 Gd3 Gd2 53.0(4) 3_545 3_545
O4 Gd3 Gd2 148.55(4) 5_656 3_545
Sb1 Gd3 Gd2 79.71(3) 3_545 3_545
Sb1 Gd3 Gd2 115.02(3) 3 3_545
O2 Gd3 Gd2 34.96(12) . 3
O1 Gd3 Gd2 53.0(4) 3 3
O1 Gd3 Gd2 105.8(4) 3_545 3
O4 Gd3 Gd2 148.55(4) 5_656 3
Sb1 Gd3 Gd2 115.02(3) 3_545 3
Sb1 Gd3 Gd2 79.71(3) 3 3
Gd2 Gd3 Gd2 62.11(2) 3_545 3
O2 Gd3 Gd4 127.9(3) . .
O1 Gd3 Gd4 116.3(3) 3 .
O1 Gd3 Gd4 116.3(3) 3_545 .
O4 Gd3 Gd4 40.5(2) 5_656 .
Sb1 Gd3 Gd4 54.70(2) 3_545 .
Sb1 Gd3 Gd4 54.70(2) 3 .
Gd2 Gd3 Gd4 134.41(3) 3_545 .
Gd2 Gd3 Gd4 134.41(3) 3 .
O2 Gd3 Gd3 90.000(1) . 1_565
O1 Gd3 Gd3 32.1(2) 3 1_565
O1 Gd3 Gd3 147.9(2) 3_545 1_565
O4 Gd3 Gd3 90.000(1) 5_656 1_565
Sb1 Gd3 Gd3 125.671(16) 3_545 1_565
Sb1 Gd3 Gd3 54.329(16) 3 1_565
Gd2 Gd3 Gd3 121.053(11) 3_545 1_565
Gd2 Gd3 Gd3 58.947(11) 3 1_565
Gd4 Gd3 Gd3 90.0 . 1_565
O2 Gd3 Gd3 90.000(1) . 1_545
O1 Gd3 Gd3 147.9(2) 3 1_545
O1 Gd3 Gd3 32.1(2) 3_545 1_545
O4 Gd3 Gd3 90.000(1) 5_656 1_545
Sb1 Gd3 Gd3 54.329(16) 3_545 1_545
Sb1 Gd3 Gd3 125.671(16) 3 1_545
Gd2 Gd3 Gd3 58.947(11) 3_545 1_545
Gd2 Gd3 Gd3 121.053(11) 3 1_545
Gd4 Gd3 Gd3 90.0 . 1_545
Gd3 Gd3 Gd3 180.00(4) 1_565 1_545
O2 Gd3 Gd1 33.5(3) . .
O1 Gd3 Gd1 105.0(4) 3 .
O1 Gd3 Gd1 105.0(4) 3_545 .
O4 Gd3 Gd1 134.8(2) 5_656 .
Sb1 Gd3 Gd1 58.27(3) 3_545 .
Sb1 Gd3 Gd1 58.27(3) 3 .
Gd2 Gd3 Gd1 56.95(2) 3_545 .
Gd2 Gd3 Gd1 56.95(2) 3 .
Gd4 Gd3 Gd1 94.32(3) . .
Gd3 Gd3 Gd1 90.0 1_565 .
Gd3 Gd3 Gd1 90.0 1_545 .
O1 Gd4 O4 100.9(3) . 3
O1 Gd4 O4 100.9(3) . 3_545
O4 Gd4 O4 115.4(4) 3 3_545
O1 Gd4 O4 175.2(5) . 5_656
O4 Gd4 O4 81.6(3) 3 5_656
O4 Gd4 O4 81.6(3) 3_545 5_656
O1 Gd4 Sb1 90.9(3) . 3_545
O4 Gd4 Sb1 154.1(2) 3 3_545
O4 Gd4 Sb1 84.3(2) 3_545 3_545
O4 Gd4 Sb1 85.19(18) 5_656 3_545
O1 Gd4 Sb1 90.9(3) . 3
O4 Gd4 Sb1 84.3(2) 3 3
O4 Gd4 Sb1 154.1(2) 3_545 3
O4 Gd4 Sb1 85.19(18) 5_656 3
Sb1 Gd4 Sb1 72.50(3) 3_545 3
O1 Gd4 Gd4 143.56(18) . 7_656
O4 Gd4 Gd4 42.8(3) 3 7_656
O4 Gd4 Gd4 99.8(2) 3_545 7_656
O4 Gd4 Gd4 38.75(11) 5_656 7_656
Sb1 Gd4 Gd4 120.78(4) 3_545 7_656
Sb1 Gd4 Gd4 83.06(3) 3 7_656
O1 Gd4 Gd4 143.56(17) . 7_646
O4 Gd4 Gd4 99.8(2) 3 7_646
O4 Gd4 Gd4 42.8(3) 3_545 7_646
O4 Gd4 Gd4 38.75(11) 5_656 7_646
Sb1 Gd4 Gd4 83.06(3) 3_545 7_646
Sb1 Gd4 Gd4 120.78(4) 3 7_646
Gd4 Gd4 Gd4 64.67(3) 7_656 7_646
O1 Gd4 Gd3 137.0(4) . .
O4 Gd4 Gd3 101.7(2) 3 .
O4 Gd4 Gd3 101.7(2) 3_545 .
O4 Gd4 Gd3 38.1(2) 5_656 .
Sb1 Gd4 Gd3 55.86(3) 3_545 .
Sb1 Gd4 Gd3 55.86(3) 3 .
Gd4 Gd4 Gd3 65.63(3) 7_656 .
Gd4 Gd4 Gd3 65.63(3) 7_646 .
O1 Gd4 Gd4 90.000(1) . 1_565
O4 Gd4 Gd4 32.3(2) 3 1_565
O4 Gd4 Gd4 147.7(2) 3_545 1_565
O4 Gd4 Gd4 90.000(1) 5_656 1_565
Sb1 Gd4 Gd4 126.252(16) 3_545 1_565
Sb1 Gd4 Gd4 53.748(16) 3 1_565
Gd4 Gd4 Gd4 57.666(16) 7_656 1_565
Gd4 Gd4 Gd4 122.334(16) 7_646 1_565
Gd3 Gd4 Gd4 90.0 . 1_565
O1 Gd4 Gd4 90.000(1) . 1_545
O4 Gd4 Gd4 147.7(2) 3 1_545
O4 Gd4 Gd4 32.3(2) 3_545 1_545
O4 Gd4 Gd4 90.000(1) 5_656 1_545
Sb1 Gd4 Gd4 53.748(16) 3_545 1_545
Sb1 Gd4 Gd4 126.252(15) 3 1_545
Gd4 Gd4 Gd4 122.335(16) 7_656 1_545
Gd4 Gd4 Gd4 57.666(16) 7_646 1_545
Gd3 Gd4 Gd4 90.0 . 1_545
Gd4 Gd4 Gd4 180.00(4) 1_565 1_545
O1 Gd4 Gd3 29.39(4) . 3_445
O4 Gd4 Gd3 123.5(3) 3 3_445
O4 Gd4 Gd3 74.2(2) 3_545 3_445
O4 Gd4 Gd3 150.746(15) 5_656 3_445
Sb1 Gd4 Gd3 76.46(3) 3_545 3_445
Sb1 Gd4 Gd3 110.07(4) 3 3_445
Gd4 Gd4 Gd3 161.63(4) 7_656 3_445
Gd4 Gd4 Gd3 115.27(2) 7_646 3_445
Gd3 Gd4 Gd3 132.21(2) . 3_445
Gd4 Gd4 Gd3 119.217(11) 1_565 3_445
Gd4 Gd4 Gd3 60.783(11) 1_545 3_445
Gd4 Sb1 Gd4 72.50(3) 3_455 3_445
Gd4 Sb1 Gd3 69.44(3) 3_455 3_455
Gd4 Sb1 Gd3 109.78(4) 3_445 3_455
Gd4 Sb1 Gd3 109.78(4) 3_455 3_445
Gd4 Sb1 Gd3 69.44(3) 3_445 3_445
Gd3 Sb1 Gd3 71.34(3) 3_455 3_445
Gd4 Sb1 Gd2 112.93(4) 3_455 3_445
Gd4 Sb1 Gd2 74.20(3) 3_445 3_445
Gd3 Sb1 Gd2 175.98(4) 3_455 3_445
Gd3 Sb1 Gd2 110.17(2) 3_445 3_445
Gd4 Sb1 Gd2 74.20(3) 3_455 3_455
Gd4 Sb1 Gd2 112.93(4) 3_445 3_455
Gd3 Sb1 Gd2 110.17(2) 3_455 3_455
Gd3 Sb1 Gd2 175.98(4) 3_445 3_455
Gd2 Sb1 Gd2 68.06(3) 3_445 3_455
Gd4 Sb1 Gd1 175.48(3) 3_455 3_445
Gd4 Sb1 Gd1 110.646(19) 3_445 3_445
Gd3 Sb1 Gd1 106.19(4) 3_455 3_445
Gd3 Sb1 Gd1 69.11(3) 3_445 3_445
Gd2 Sb1 Gd1 71.37(3) 3_445 3_445
Gd2 Sb1 Gd1 106.88(4) 3_455 3_445
Gd4 Sb1 Gd1 110.646(19) 3_455 3_455
Gd4 Sb1 Gd1 175.48(3) 3_445 3_455
Gd3 Sb1 Gd1 69.11(3) 3_455 3_455
Gd3 Sb1 Gd1 106.19(4) 3_445 3_455
Gd2 Sb1 Gd1 106.88(4) 3_445 3_455
Gd2 Sb1 Gd1 71.37(3) 3_455 3_455
Gd1 Sb1 Gd1 66.02(3) 3_445 3_455
Gd2 Sb2 Gd2 116.86(13) 3_455 7
Gd2 Sb2 Gd1 75.72(7) 3_455 3_455
Gd2 Sb2 Gd1 73.02(6) 7 3_455
Gd2 Sb2 Gd1 73.02(6) 3_455 7
Gd2 Sb2 Gd1 75.72(7) 7 7
Gd1 Sb2 Gd1 118.09(13) 3_455 7
Gd2 Sb2 Gd2 174.29(12) 3_455 7_545
Gd2 Sb2 Gd2 68.85(2) 7 7_545
Gd1 Sb2 Gd2 106.88(3) 3_455 7_545
Gd1 Sb2 Gd2 109.43(3) 7 7_545
Gd2 Sb2 Gd2 68.85(2) 3_455 3_445
Gd2 Sb2 Gd2 174.29(12) 7 3_445
Gd1 Sb2 Gd2 109.43(3) 3_455 3_445
Gd1 Sb2 Gd2 106.88(3) 7 3_445
Gd2 Sb2 Gd2 105.45(11) 7_545 3_445
Gd2 Sb2 Gd1 106.92(3) 3_455 7_545
Gd2 Sb2 Gd1 109.48(3) 7 7_545
Gd1 Sb2 Gd1 174.35(12) 3_455 7_545
Gd1 Sb2 Gd1 67.57(2) 7 7_545
Gd2 Sb2 Gd1 70.04(6) 7_545 7_545
Gd2 Sb2 Gd1 67.60(6) 3_445 7_545
Gd2 Sb2 Gd1 109.48(3) 3_455 3_445
Gd2 Sb2 Gd1 106.92(3) 7 3_445
Gd1 Sb2 Gd1 67.57(2) 3_455 3_445
Gd1 Sb2 Gd1 174.35(12) 7 3_445
Gd2 Sb2 Gd1 67.60(6) 7_545 3_445
Gd2 Sb2 Gd1 70.04(6) 3_445 3_445
Gd1 Sb2 Gd1 106.78(11) 7_545 3_445
Gd4 O1 Gd3 121.6(3) . 3_445
Gd4 O1 Gd3 121.6(3) . 3_455
Gd3 O1 Gd3 115.8(5) 3_445 3_455
Gd3 O2 Gd2 111.1(3) . 3
Gd3 O2 Gd2 111.1(3) . 3_545
Gd2 O2 Gd2 114.3(4) 3 3_545
Gd3 O2 Gd1 115.0(4) . .
Gd2 O2 Gd1 102.5(3) 3 .
Gd2 O2 Gd1 102.5(3) 3_545 .
Gd2 O3 Gd1 107.3(3) . 3_445
Gd2 O3 Gd1 107.3(3) . 3_455
Gd1 O3 Gd1 115.7(4) 3_445 3_455
Gd2 O3 Gd1 119.6(4) . 5_655
Gd1 O3 Gd1 103.7(3) 3_445 5_655
Gd1 O3 Gd1 103.7(3) 3_455 5_655
Gd4 O4 Gd4 115.4(4) 3_445 3_455
Gd4 O4 Gd3 118.3(2) 3_445 5_656
Gd4 O4 Gd3 118.3(2) 3_455 5_656
Gd4 O4 Gd4 98.4(3) 3_445 5_656
Gd4 O4 Gd4 98.4(3) 3_455 5_656
Gd3 O4 Gd4 101.4(4) 5_656 5_656
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O3 2.255(5) 3
Gd1 O3 2.255(5) 3_545
Gd1 O3 2.308(9) 5_655
Gd1 O2 2.347(10) .
Gd1 Sb2 3.316(2) 3_545
Gd1 Sb2 3.316(2) 7
Gd1 Sb1 3.5052(12) 3
Gd1 Sb1 3.5052(12) 3_545
Gd1 Sb2 3.543(3) 7_545
Gd1 Sb2 3.543(3) 3
Gd1 Gd1 3.5891(13) 7_645
Gd1 Gd1 3.5890(13) 7_655
Gd2 O3 2.218(10) .
Gd2 O2 2.273(6) 3_445
Gd2 O2 2.273(6) 3_455
Gd2 Sb2 3.259(2) 3_545
Gd2 Sb2 3.259(2) 7
Gd2 Sb1 3.4120(14) 3
Gd2 Sb1 3.4120(14) 3_545
Gd2 Sb2 3.489(3) 7_545
Gd2 Sb2 3.489(3) 3
Gd2 Gd1 3.6027(11) 3_445
Gd2 Gd1 3.6027(11) 3_455
Gd2 Gd3 3.7019(11) 3_455
Gd3 O2 2.217(9) .
Gd3 O1 2.254(6) 3
Gd3 O1 2.254(6) 3_545
Gd3 O4 2.334(9) 5_656
Gd3 Sb1 3.2746(12) 3_545
Gd3 Sb1 3.2746(12) 3
Gd3 Gd2 3.7019(11) 3_545
Gd3 Gd2 3.7019(11) 3
Gd3 Gd4 3.7045(13) .
Gd3 Gd3 3.8191(8) 1_565
Gd3 Gd3 3.8191(8) 1_545
Gd4 O1 2.228(12) .
Gd4 O4 2.259(5) 3
Gd4 O4 2.259(5) 3_545
Gd4 O4 2.453(10) 5_656
Gd4 Sb1 3.2292(11) 3_545
Gd4 Sb1 3.2292(11) 3
Gd4 Gd4 3.5702(15) 7_656
Gd4 Gd4 3.5702(15) 7_646
Gd4 Gd4 3.8191(8) 1_565
Gd4 Gd4 3.8191(8) 1_545
Gd4 Gd3 3.9120(12) 3_445
Sb1 Gd4 3.2292(11) 3_455
Sb1 Gd4 3.2292(11) 3_445
Sb1 Gd3 3.2746(12) 3_455
Sb1 Gd3 3.2746(12) 3_445
Sb1 Gd2 3.4120(14) 3_445
Sb1 Gd2 3.4120(14) 3_455
Sb1 Gd1 3.5052(12) 3_445
Sb1 Gd1 3.5052(12) 3_455
Sb2 Gd2 3.259(2) 3_455
Sb2 Gd2 3.259(2) 7
Sb2 Gd1 3.316(2) 3_455
Sb2 Gd1 3.316(2) 7
Sb2 Gd2 3.489(3) 7_545
Sb2 Gd2 3.489(3) 3_445
Sb2 Gd1 3.543(3) 7_545
Sb2 Gd1 3.543(3) 3_445
O1 Gd3 2.254(6) 3_445
O1 Gd3 2.254(6) 3_455
O2 Gd2 2.273(6) 3
O2 Gd2 2.273(6) 3_545
O3 Gd1 2.255(5) 3_445
O3 Gd1 2.255(5) 3_455
O3 Gd1 2.308(9) 5_655
O4 Gd4 2.259(5) 3_445
O4 Gd4 2.259(5) 3_455
O4 Gd3 2.334(9) 5_656
O4 Gd4 2.453(10) 5_656
