InBO~3~
Cox, J.R.; Keszler, D.A.; Acta Crystallographica Section C 50 (1994) 1857–1859; doi:10.1107/S0108270194003999

data_2010257
_publ_section_title
;
 InBO~3~
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1857
_journal_page_last               1859
_journal_paper_doi               10.1107/S0108270194003999
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'B1 In1 O3'
_chemical_formula_sum            'B In O3'
_chemical_formula_weight         173.63
_space_group_IT_number           167
_symmetry_cell_setting           rhombohedral
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                120.
_cell_formula_units_Z            6
_cell_length_a                   4.8217(8)
_cell_length_b                   4.8217(8)
_cell_length_c                   15.4380(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    296
_cell_measurement_theta_max      19.45
_cell_measurement_theta_min      13.3
_cell_volume                     310.83(8)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            1190
_diffrn_reflns_theta_max         37.5
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_count 300
_diffrn_standards_number         '3 {0,0,12, 0\=28, 1,1,\=1\=2}'
_exptl_absorpt_coefficient_mu    10.908
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.60
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.565
_exptl_crystal_description       'irregular block'
_exptl_crystal_size_max          0.25(2)
_exptl_crystal_size_mid          0.15(2)
_exptl_crystal_size_min          0.15(2)
_refine_diff_density_max         1.713
_refine_diff_density_min         1.216
_refine_ls_extinction_coef       0.47E-5(4)
_refine_ls_extinction_method
'TEXSAN (Molecular Structure Corporation, 1989)'
_refine_ls_goodness_of_fit_obs   1.48
_refine_ls_number_parameters     11
_refine_ls_number_reflns         164
_refine_ls_R_factor_obs          0.020
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s(F~o~); \s(F~o~^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          918
_reflns_number_total             236
_reflns_observed_criterion       F~o~^2^>=3\s(F~o~^2^)
_cod_data_source_file            br1064.cif
_cod_data_source_block           br1064a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s(F~o~); \s(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w = 1/\s(F~o~);
\s(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        310.82(7)
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'B1 In1 O3'
_cod_database_code               2010257