NbSb~2~
Rehr, A.; Kauzlarich, S.M.; Acta Crystallographica Section C 50 (1994) 1177–1178; doi:10.1107/S0108270193010996

data_2009932
_publ_section_title
;
 NbSb~2~
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1177
_journal_page_last               1178
_journal_paper_doi               10.1107/S0108270193010996
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Nb1 Sb2'
_chemical_formula_sum            'Nb Sb2'
_chemical_formula_weight         336.4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 120.03(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   10.218(3)
_cell_length_b                   3.6300(10)
_cell_length_c                   8.315(3)
_cell_measurement_reflns_used    11
_cell_measurement_temperature    130
_cell_measurement_theta_max      14.5
_cell_measurement_theta_min      6.5
_cell_volume                     267.01(15)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0131
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            367
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        +-2.0
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    23.925
_exptl_absorpt_correction_T_max  0.105
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type
; empirical based on F~o~^2^ and F~c~^2^ differences;
 XABS2
;
_exptl_crystal_colour            metallic
_exptl_crystal_density_diffrn    8.368
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.46
_refine_diff_density_min         -1.36
_refine_ls_goodness_of_fit_obs   1.29
_refine_ls_number_parameters     19
_refine_ls_number_reflns         345
_refine_ls_R_factor_obs          0.0224
_refine_ls_shift/esd_max         0.000
_refine_ls_structure_factor_coef F^2^
_refine_ls_weighting_details     'w = 1/[\s^2^(F~o~^2^) + (0.0388P)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0615
_reflns_number_observed          330
_reflns_number_total             347
_reflns_observed_criterion       F>2.0\s(F)
_cod_data_source_file            br1041.cif
_cod_data_source_block           br1041_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F~o~^2^) +
(0.0388P)^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^2^(F~o~^2^) + (0.0388P)^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        267.0(2)
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Nb1 Sb2'
_cod_database_code               2009932