Crystal structure of tetraytterbium septarhodium hexaantimony, Yb~4~Rh~7~Sb~6~
Leithe-Jasper, A.; Cardoso-Gil, R.; Ramlau, R.; Burkhardt, U.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 255–256; doi:

data_8102949
_publ_section_title
;Crystal structure of tetraytterbium septarhodium hexaantimony,
 Yb~4~Rh~7~Sb~6~
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              255
_journal_page_last               256
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'Rh7 Sb6 Yb4'
_chemical_formula_weight         2143.03
_chemical_name_systematic
;
ytterbium rhodium antimony
;
_space_group_IT_number           229
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 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                   8.6524(3)
_cell_length_b                   8.6524(3)
_cell_length_c                   8.6524(3)
_cell_measurement_temperature    293(2)
_cell_volume                     647.75(4)
_computing_cell_refinement       CSD
_computing_data_reduction        'STOE data reduction program '
_computing_molecular_graphics    'ATOMS 4.1 (Dowty, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDS I'
_diffrn_measurement_method       phi
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           AgK\a
_diffrn_radiation_wavelength     0.56086
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0104
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            3770
_diffrn_reflns_theta_full        23.72
_diffrn_reflns_theta_max         23.72
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    26.337
_exptl_absorpt_correction_T_max  0.3238
_exptl_absorpt_correction_T_min  0.1400
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'black lustre'
_exptl_crystal_density_diffrn    10.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1802
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.835
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.00341(13)
_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   1.335
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         127
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.335
_refine_ls_R_factor_all          0.0126
_refine_ls_R_factor_gt           0.0114
_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^)+(0.0066P)^2^+2.0623P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0187
_refine_ls_wR_factor_ref         0.0189
_reflns_number_gt                123
_reflns_number_total             127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409885.cff
_cod_data_source_block           yrs1aa
_cod_original_sg_symbol_H-M      Im-3m
_cod_database_code               8102949