Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh
Ruck, M.; Acta Crystallographica Section B 52 (1996) 605–609; doi:10.1107/S0108768196003400

data_2101560
_publ_section_title
;
 Kristallstruktur und zwillingsbildung der intermetallischen phase
 \b-Bi~2~Rh
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              605
_journal_page_last               609
_journal_paper_doi               10.1107/S0108768196003400
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Bi2 Rh'
_chemical_formula_weight         520.87
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                104.760(10)
_cell_angle_beta                 100.730(10)
_cell_angle_gamma                105.790(10)
_cell_formula_units_Z            4
_cell_length_a                   6.7430(10)
_cell_length_b                   7.0300(10)
_cell_length_c                   7.0670(10)
_cell_measurement_reflns_used    141
_cell_measurement_temperature    293.0(10)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      6
_cell_volume                     299.74(8)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens/Stoe AED2'
_diffrn_measurement_method       \w/\q
_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  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3480
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         3.10
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_time  180
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    122.227
_exptl_absorpt_correction_T_max  0.13
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            'light grey'
_exptl_crystal_density_diffrn    11.542
_exptl_crystal_description       platelet
_exptl_crystal_F_000             844
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.342
_refine_diff_density_min         -2.232
_refine_ls_extinction_coef       0.00155(9)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   0.996
_refine_ls_goodness_of_fit_obs   1.044
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_reflns         1740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.996
_refine_ls_restrained_S_obs      1.044
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_obs          0.0271
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0529
_refine_ls_wR_factor_obs         0.0484
_reflns_number_observed          1339
_reflns_number_total             1740
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            jz0001.cif
_cod_data_source_block           bi2rh
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        299.74(7)
_cod_database_code               2101560