Rare-earth metal-rich antimonides: syntheses, structures, and properties of Tm(3)Sb and Lu(7)Sb(3).
Gupta, Shalabh; Chen, Ling; Ganguli, Ashok K.; Corbett, John D.; Inorganic chemistry 46 (2007) 2187–2192; doi:10.1021/ic0619409

data_4339616
_publ_section_title
;
 Rare-earth metal-rich antimonides: syntheses, structures, and properties
 of Tm(3)Sb and Lu(7)Sb(3).
;
_journal_issue                   6
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2187
_journal_page_last               2192
_journal_paper_doi               10.1021/ic0619409
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Lu7 Sb3'
_chemical_formula_weight         1590.04
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c 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            8
_cell_length_a                   15.5974(7)
_cell_length_b                   15.5974(7)
_cell_length_c                   8.8130(7)
_cell_measurement_temperature    273(2)
_cell_volume                     2144.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.993
_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  0.0589
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6498
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    71.141
_exptl_crystal_density_diffrn    9.852
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5200
_refine_diff_density_max         1.455
_refine_diff_density_min         -1.272
_refine_diff_density_rms         0.318
_refine_ls_extinction_coef       0.000049(4)
_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   0.949
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     33
_refine_ls_number_reflns         736
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.949
_refine_ls_R_factor_all          0.0257
_refine_ls_R_factor_gt           0.0180
_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^)+(0.0080P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0304
_refine_ls_wR_factor_ref         0.0314
_reflns_number_gt                616
_reflns_number_total             736
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0619409rom20061010_054357.cif
_cod_data_source_block           cor94m_Lu7Sb3_bin
_cod_database_code               4339616