Preparation and Crystal Structure of the Ternary Uranium Rare Earth Antimonides (U2/3R1/3)Sb2 and (U1/2R1/2)3Sb7 with Mixed U/R Occupancy of the Metal Sites and a Variety of Antimony Polyanions
Tobias Schmidt; Wolfgang Jeitschko; Inorganic Chemistry 40 (2001) 6356–6361; doi:10.1021/ic010564j

data_4320651
_publ_section_title
;
 Preparation and Crystal Structure of the Ternary Uranium Rare Earth
 Antimonides (U2/3R1/3)Sb2 and (U1/2R1/2)3Sb7 with Mixed U/R Occupancy of
 the Metal Sites and a Variety of Antimony Polyanions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6356
_journal_page_last               6361
_journal_paper_doi               10.1021/ic010564j
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Gd1.29 Sb8 U2.71'
_chemical_formula_weight         1821.91
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   7.546(2)
_cell_length_b                   4.1960(10)
_cell_length_c                   10.257(2)
_cell_measurement_temperature    293(2)
_cell_volume                     324.77(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0242
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            2756
_diffrn_reflns_theta_full        34.92
_diffrn_reflns_theta_max         34.92
_diffrn_reflns_theta_min         3.35
_exptl_absorpt_coefficient_mu    56.410
_exptl_crystal_density_diffrn    9.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             740
_refine_diff_density_max         3.778
_refine_diff_density_min         -3.211
_refine_diff_density_rms         0.547
_refine_ls_extinction_coef       0.0069(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     21
_refine_ls_number_reflns         790
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0340P)^2^+0.1507P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0567
_reflns_number_gt                747
_reflns_number_total             790
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010564j_1.cif
_cod_data_source_block           62
_cod_database_code               4320651