data_1511254
_publ_section_title
;
 Investigations on the binary systems of boron with chromium, columbium,
 nickel and thorium including a discussion of the phase 'TiB' in the
 titanium boron system
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              160
_journal_page_last               160
_journal_paper_doi               10.3891/acta.chem.scand.04-0160
_journal_volume                  4
_journal_year                    1950
_chemical_formula_sum            'B Nb'
_chemical_name_systematic        'Nb B'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.298
_cell_length_b                   8.724
_cell_length_c                   3.166
_cell_volume                     91.091
_citation_journal_id_ASTM        ACSAA4
_[local]_cod_data_source_file    boron0-1_374.cif
_[local]_cod_data_source_block   B1Nb1
_[local]_cod_chemical_formula_sum_orig 'B1 Nb1'
_cod_original_cell_volume        91.09137
_cod_database_code               1511254
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z-1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Nb1 Nb 0 0.146 0.25 1 0.0
B1 B 0 0.444 0.25 1 0.0
