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_4320652
_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            'Ho3.08 Sb14 U2.92'
_chemical_formula_weight         2907.53
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_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            2
_cell_length_a                   4.1010(10)
_cell_length_b                   14.477(3)
_cell_length_c                   18.212(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1081.2(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0224
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            5136
_diffrn_reflns_theta_full        34.98
_diffrn_reflns_theta_max         34.98
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    50.019
_exptl_crystal_density_diffrn    8.931
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2378
_refine_diff_density_max         2.227
_refine_diff_density_min         -3.155
_refine_diff_density_rms         0.504
_refine_ls_extinction_coef       0.00059(3)
_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   1.131
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     44
_refine_ls_number_reflns         1399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0202
_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/[\s^2^(Fo^2^)+(0.0248P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0465
_refine_ls_wR_factor_ref         0.0492
_reflns_number_gt                1218
_reflns_number_total             1399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010564j_2.cif
_cod_data_source_block           71
_cod_database_code               4320652