The material described by Ba(Cu2As)4 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to three equivalent Cu(2) and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent Cu(2), three equivalent Cu(1), and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Ba(Cu2As)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   7.638
_cell_length_c   7.638
_cell_angle_alpha   86.199
_cell_angle_beta   75.079
_cell_angle_gamma   75.079
_symmetry_Int_Tables_number   1
_cell_volume   214.233
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.625  0.392  0.357  1.0
  Cu  Cu2  1  0.214  0.457  0.115  1.0
  Cu  Cu3  1  0.329  0.885  0.457  1.0
  Cu  Cu4  1  0.671  0.115  0.543  1.0
  Cu  Cu5  1  0.786  0.543  0.885  1.0
  Cu  Cu6  1  0.375  0.608  0.643  1.0
  Cu  Cu7  1  0.017  0.357  0.608  1.0
  Cu  Cu8  1  0.983  0.643  0.392  1.0
  As  As9  1  0.428  0.331  0.814  1.0
  As  As10  1  0.242  0.186  0.331  1.0
  As  As11  1  0.758  0.814  0.669  1.0
  As  As12  1  0.572  0.669  0.186  1.0
[/CIF]
.
The material described by Ba(Cu2As)4 crystallizes in the tetragonal I4/m space group. Ba(1) is bonded in a body-centered cubic geometry to eight equivalent As(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to three equivalent Cu(2) and three equivalent As(1) atoms. In the second Cu site, Cu(2) is bonded in a 9-coordinate geometry to two equivalent Cu(2), three equivalent Cu(1), and four equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to two equivalent Ba(1), three equivalent Cu(1), and four equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Ba(Cu2As)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.933
_cell_length_b   7.638
_cell_length_c   7.638
_cell_angle_alpha   86.199
_cell_angle_beta   75.079
_cell_angle_gamma   75.079
_symmetry_Int_Tables_number   1
_cell_volume   214.233
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.625  0.392  0.357  1.0
  Cu  Cu2  1  0.214  0.457  0.115  1.0
  Cu  Cu3  1  0.329  0.885  0.457  1.0
  Cu  Cu4  1  0.671  0.115  0.543  1.0
  Cu  Cu5  1  0.786  0.543  0.885  1.0
  Cu  Cu6  1  0.375  0.608  0.643  1.0
  Cu  Cu7  1  0.017  0.357  0.608  1.0
  Cu  Cu8  1  0.983  0.643  0.392  1.0
  As  As9  1  0.428  0.331  0.814  1.0
  As  As10  1  0.242  0.186  0.331  1.0
  As  As11  1  0.758  0.814  0.669  1.0
  As  As12  1  0.572  0.669  0.186  1.0
[/CIF]
.