On the stoichiometry breadth of YbIn~1{-~<i>x</i>}Rh~<i>x~</i>Cu~4~ [<i>x</i> = 0.19(3)]
Bobev, Svilen; Fritsch, Veronika; Acta Crystallographica Section E 62 (2006) i182–i183; doi:10.1107/S1600536806029941

data_2210400
_publ_section_title
;
 On the stoichiometry breadth of YbIn~1{-~<i>x</i>}Rh~<i>x~</i>Cu~4~
 [<i>x</i> = 0.19(3)]
;
_journal_coeditor_code           WM2024
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i182
_journal_page_last               i183
_journal_paper_doi               10.1107/S1600536806029941
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'Yb In0.81 Rh0.19 Cu4'
_chemical_formula_structural     'Yb (In0.81 Rh0.19) Cu4'
_chemical_formula_sum            'Cu4 In0.81 Rh0.19 Yb'
_chemical_formula_weight         539.73
_chemical_name_systematic
;
Ytterbium indium rhodium tetracopper
;
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_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            4
_cell_length_a                   7.1469(2)
_cell_length_b                   7.1469(2)
_cell_length_c                   7.1469(2)
_cell_measurement_reflns_used    1381
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33
_cell_measurement_theta_min      5
_cell_volume                     365.051(18)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'XP in SHELXTL'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXTL (Sheldrick, 2001)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2001)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       \w
_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  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0219
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1381
_diffrn_reflns_theta_full        33.00
_diffrn_reflns_theta_max         33.00
_diffrn_reflns_theta_min         4.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    53.838
_exptl_absorpt_correction_T_max  0.115
_exptl_absorpt_correction_T_min  0.040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    9.820
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular fragment'
_exptl_crystal_F_000             937
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.091
_refine_diff_density_min         -0.925
_refine_ls_abs_structure_details 'Flack (1983), 40 Friedel pairs'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_coef       0.0118(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXTL
_refine_ls_goodness_of_fit_ref   1.208
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_reflns         96
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.208
_refine_ls_R_factor_all          0.0144
_refine_ls_R_factor_gt           0.0144
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0202P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0358
_refine_ls_wR_factor_ref         0.0358
_reflns_number_gt                96
_reflns_number_total             96
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2024.cif
_cod_data_source_block           I
_cod_database_code               2210400
_cod_database_fobs_code          2210400