Redetermination of the perovskite-type compound YRh~3~B revealing a Rh deficiency
Makita, Ryoko; Tanizawa, Koutarou; Tanaka, Kiyoaki; Takei, Humihiko; Acta Crystallographica Section E 64 (2008) i72–; doi:10.1107/S1600536808030754

data_2219732
_publ_section_title
;
 Redetermination of the perovskite-type compound YRh~3~B revealing a Rh
 deficiency
;
_journal_coeditor_code           WM2195
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i72
_journal_paper_doi               10.1107/S1600536808030754
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'Yb Rh2.67 B'
_chemical_formula_structural     'Yb Rh2.67 B'
_chemical_formula_sum            'B Rh2.67 Yb'
_chemical_formula_weight         458.61
_chemical_name_common            'Rhodium Ytterbium Boride'
_chemical_name_systematic
;
Ytterbium trirhodium boride
;
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   4.12992(7)
_cell_length_b                   4.12992(7)
_cell_length_c                   4.12992(7)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    109.0(10)
_cell_measurement_theta_max      38.27
_cell_measurement_theta_min      36.48
_cell_volume                     70.441(2)
_computing_cell_refinement
;
RSLC-3 UNICS system (Sakurai & Kobayashi, 1979)
;
_computing_data_collection
;
MXCSYS (MacScience, 1995) and IUANGLE (Tanaka <i>et al.</i>,
1994).
;
_computing_data_reduction        'RDEDIT (Tanaka, 2008)'
_computing_molecular_graphics    'ATOMS for Windows (Dowty, 2000)'
_computing_publication_material  'RDEDIT (Tanaka, 2008)'
_computing_structure_refinement
'QNTAO (Tanaka & \=Onuki, 2002; Tanaka <i>et al.</i>, 2008)'
_computing_structure_solution
'QNTAO (Tanaka & \=Onuki, 2002; Tanaka <i>et al.</i>, 2008)'
_diffrn_ambient_temperature      109.0(10)
_diffrn_detector_area_resol_mean '1.25 x 1.25\%'
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'MacScience M06XHF22 four-circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            953
_diffrn_reflns_theta_max         74.893
_diffrn_reflns_theta_min         4.934
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 50
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    47.897
_exptl_absorpt_correction_T_max  0.1690
_exptl_absorpt_correction_T_min  0.0688
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
[transmission coefficients for spheres tabulated in International Tables
for X-ray Crystallography (Vol. II, 1972, Table 5.3.6B) were interpolated
with Lagrange's method (four point interpolation; Yamauchi <i>et al.</i>,
1965)]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    10.81
_exptl_crystal_description       sphere
_exptl_crystal_F_000             195.14
_exptl_crystal_size_max          0.082
_exptl_crystal_size_mid          0.082
_exptl_crystal_size_min          0.082
_exptl_crystal_size_rad          0.041
_refine_diff_density_max         1.86
_refine_diff_density_min         -1.98
_refine_ls_extinction_coef       '0.052(2) times 10^4^'
_refine_ls_extinction_method
'B-C type 1 Gaussian anisotropic (Becker & Coppens, 1975)'
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         193
_refine_ls_number_restraints     3
_refine_ls_R_factor_gt           0.0140
_refine_ls_shift/su_max          0.00010
_refine_ls_shift/su_mean         0.00005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0232
_refine_ls_wR_factor_ref         0.0288
_reflns_number_gt                193
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_reflns_threshold_expression     F>3\s(F)
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_cod_database_code               2219732
_cod_database_fobs_code          2219732