data_1510857
_publ_section_title
;
 Structures of diborides of titanium, zirconium, columbium, tantalum and
 vanadium
;
_journal_name_full
;
Transactions of the American Institute of Mining, Metallurgical and Petroleum
 Engineers
;
_journal_page_first              749
_journal_page_last               751
_journal_volume                  185
_journal_year                    1949
_chemical_formula_sum            'B2 Zr'
_chemical_name_systematic        'Zr B2'
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.17
_cell_length_b                   3.17
_cell_length_c                   3.533
_cell_volume                     30.746
_citation_journal_id_ASTM        TAIMAF
_[local]_cod_data_source_file    boron_365.cif
_[local]_cod_data_source_block   B2Zr1
_[local]_cod_chemical_formula_sum_orig 'B2 Zr1'
_cod_original_cell_volume        30.7463
_cod_database_code               1510857
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z
-y,x-y,z
-x,-y,z
-x+y,-x,z
y,-x+y,z
-y,-x,-z
x-y,-y,-z
x,x-y,-z
y,x,-z
-x+y,y,-z
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z
y,-x+y,-z
x,y,-z
x-y,x,-z
-y,x-y,-z
y,x,z
-x+y,y,z
-x,-x+y,z
-y,-x,z
x-y,-y,z
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
Zr1 Zr 0 0 0 1 0.0
B1 B 0.3333 0.6667 0.5 1 0.0
