data_2310108
_publ_section_title
;
 Composition and crystallographic data for the highest boride of tungsten
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              313
_journal_page_last               315
_journal_paper_doi               10.1107/S0365110X6600063X
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'B4 W'
_chemical_name_systematic        'W B4'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   5.2
_cell_length_b                   5.2
_cell_length_c                   6.34
_cell_volume                     148.466
_citation_journal_id_ASTM        ACCRA9
_[local]_cod_data_source_file    boron4-x_152.cif
_[local]_cod_data_source_block   B4W1
_[local]_cod_chemical_formula_sum_orig 'B4 W1'
_cod_original_cell_volume        148.4659
_cod_database_code               2310108
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,z
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
B2 B 0.3333 0.6667 0.615 1 0.0
W1 W 0.3333 0.6667 0.25 1 0.0
W2 W 0 0 0.25 1 0.0
B1 B 0.333 0 0 1 0.0
