data_9008352
_publ_section_title
;
 The Cu2Sb and related structures
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              23
_journal_page_last               39
_journal_volume                  171
_journal_year                    1985
_chemical_formula_structural     Ba2As
_chemical_formula_sum            'As Ba2'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.13
_cell_length_b                   5.13
_cell_length_c                   17.35999
_cell_volume                     456.861
_exptl_crystal_density_diffrn    5.082
_[local]_cod_chemical_formula_sum_orig 'Ba2 As'
_cod_database_code               9008352
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
-y,-x,z
1/2-y,1/2-x,1/2+z
y,x,-z
1/2+y,1/2+x,1/2-z
y,-x,-z
1/2+y,1/2-x,1/2-z
-y,x,z
1/2-y,1/2+x,1/2+z
x,-y,z
1/2+x,1/2-y,1/2+z
-x,y,-z
1/2-x,1/2+y,1/2-z
x,y,-z
1/2+x,1/2+y,1/2-z
-x,-y,z
1/2-x,1/2-y,1/2+z
y,x,z
1/2+y,1/2+x,1/2+z
-y,-x,-z
1/2-y,1/2-x,1/2-z
-y,x,-z
1/2-y,1/2+x,1/2-z
y,-x,z
1/2+y,1/2-x,1/2+z
-x,y,z
1/2-x,1/2+y,1/2+z
x,-y,-z
1/2+x,1/2-y,1/2-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ba1 0.00000 0.50000 0.00000
Ba2 0.00000 0.00000 0.32500
As 0.00000 0.00000 0.13600
