A New Quaternary Borocarbide, GdRh~2~B~2~C
Ye, J.; Shishido, T.; Kimura, T.; Matsumoto, T.; Fukuda, T.; Acta Crystallographica Section C 52 (1996) 2652–2655; doi:10.1107/S010827019600724X

data_2005593
_publ_contact_author
;
    Dr Jinhua Ye
    National Research Institute for Metals
    1-2-1 Sengen, Tsukuba, Ibaraki 305
   Japan
;
_publ_section_title
;
 A New Quaternary Borocarbide, GdRh~2~B~2~C
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2652
_journal_page_last               2655
_journal_paper_doi               10.1107/S010827019600724X
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C B2 Gd Rh2'
_chemical_formula_weight         396.69
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2.00
_cell_length_a                   3.7491(3)
_cell_length_b                   3.7491(3)
_cell_length_c                   10.4122(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292.0
_cell_measurement_theta_max      45.0
_cell_measurement_theta_min      42.7
_cell_volume                     146.351(17)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1988)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1992)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_diffrn_ambient_temperature      292
_diffrn_measurement_device       'RIGAKU-AFC7R diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.13
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            3013
_diffrn_reflns_theta_max         60.0
_diffrn_standards_decay_%        1.35
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    33.2
_exptl_absorpt_correction_T_max  0.7537
_exptl_absorpt_correction_T_min  0.1408
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    9.002
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             340.0
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.008
_refine_diff_density_max         3.62
_refine_diff_density_min         -3.72
_refine_ls_extinction_coef       104(12)
_refine_ls_extinction_method     Zachariasen_(1968)_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.450
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         334
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.025
_refine_ls_shift/esd_max         0.000045
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.023
_reflns_number_observed          340
_reflns_number_total             374
_reflns_observed_criterion       refl_observed_if_I_>_3_sigma(I)
_cod_data_source_file            br1145.cif
_cod_data_source_block           GdRh2B2C
_cod_original_cell_volume        146.350(10)
_cod_original_sg_symbol_H-M      'I 4/m m m  '
_cod_original_formula_sum        'Gd Rh2 B2 C'
_cod_database_code               2005593