The material structure described by Ba2As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted square co-planar geometry to four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.724
_cell_length_b   9.724
_cell_length_c   9.724
_cell_angle_alpha   149.552
_cell_angle_beta   149.552
_cell_angle_gamma   43.599
_symmetry_Int_Tables_number   1
_cell_volume   235.490
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.316  0.316  0.000  1.0
  Ba  Ba1  1  0.684  0.684  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.500  1.0
  As  As4  1  0.132  0.132  0.000  1.0
  As  As5  1  0.868  0.868  0.000  1.0
[/CIF]
.
The material structure described by Ba2As crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 5-coordinate geometry to five equivalent As(1) atoms. In the second Ba site, Ba(2) is bonded in a distorted square co-planar geometry to four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to four equivalent Ba(2) and five equivalent Ba(1) atoms. is represented by the CIF card [CIF]
data_Ba2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.724
_cell_length_b   9.724
_cell_length_c   9.724
_cell_angle_alpha   149.552
_cell_angle_beta   149.552
_cell_angle_gamma   43.599
_symmetry_Int_Tables_number   1
_cell_volume   235.490
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.316  0.316  0.000  1.0
  Ba  Ba1  1  0.684  0.684  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.500  1.0
  Ba  Ba3  1  0.500  0.000  0.500  1.0
  As  As4  1  0.132  0.132  0.000  1.0
  As  As5  1  0.868  0.868  0.000  1.0
[/CIF]
.