End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C
Ye, Jinhua; Shishido, Toetsu; Kimura, Takashi; Matsumoto, Takehiko; Fukuda, Tsuguo; Acta Crystallographica Section C 54 (1998) 1211–1214; doi:10.1107/S0108270198003035

data_2007586
_publ_section_title
;
 End Member of the Rhodium-Based Quaternary Borocarbides, ErRh~2~B~2~C
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1211
_journal_page_last               1214
_journal_paper_doi               10.1107/S0108270198003035
_journal_volume                  54
_journal_year                    1998
_chemical_formula_sum            'C B2 Er Rh2'
_chemical_formula_weight         406.70
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.6848(2)
_cell_length_b                   3.6848
_cell_length_c                   10.5520(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    292.0
_cell_measurement_theta_max      47.4
_cell_measurement_theta_min      41.4
_cell_volume                     143.272(10)
_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_publication_material  'TEXSAN FINISH'
_computing_structure_refinement  'TEXSAN LS'
_diffrn_ambient_temperature      292
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04
_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            4207
_diffrn_reflns_theta_max         60.0
_diffrn_standards_decay_%        1.67
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    39.99
_exptl_absorpt_correction_T_max  0.719
_exptl_absorpt_correction_T_min  0.158
_exptl_absorpt_correction_type   'integration from crystal shape'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    9.427
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plate'
_exptl_crystal_F_000             348.0
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.9
_refine_diff_density_min         -3.6
_refine_ls_extinction_coef       102(7)
_refine_ls_extinction_method
'Zachariasen (1968) type 2, Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   1.70
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_reflns         358
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          .019
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         .020
_reflns_number_observed          363
_reflns_number_total             363
_reflns_observed_criterion       I>0
_cod_data_source_file            br1189.cif
_cod_data_source_block           ErRh2B2C
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 4 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        143.272(7)
_cod_original_formula_sum        'Er Rh2 B2 C'
_cod_database_code               2007586
_cod_database_fobs_code          2007586