data_1510903
_publ_section_title
;
 Structural investigation of Cr2 B3, Cr3 B4, and Cr B by single-crystal
 diffractometry
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              61
_journal_page_last               67
_journal_paper_doi               10.1016/0022-4596(87)90285-4
_journal_volume                  68
_journal_year                    1987
_chemical_formula_sum            'B3 Cr2'
_chemical_name_systematic        'Cr2 B3'
_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                   3.0264
_cell_length_b                   18.115
_cell_length_c                   2.9542
_cell_volume                     161.959
_citation_journal_id_ASTM        JSSCBI
_[local]_cod_data_source_file    boron_427.cif
_[local]_cod_data_source_block   B3Cr2
_cod_original_cell_volume        161.9588
_cod_database_code               1510903
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
B1 B 0 0.0236 0.25 1 0.0
Cr2 Cr 0 0.7037 0.25 1 0.0
B3 B 0 0.8287 0.25 1 0.0
B2 B 0 0.1186 0.25 1 0.0
Cr1 Cr 0 0.42766 0.25 1 0.0
