The compound described by Ba(CuO)4 crystallizes in the tetragonal P4/nbm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Ba(CuO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   6.639
_cell_length_c   6.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.069
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.750  0.750  0.500  1.0
  Cu  Cu5  1  0.250  0.250  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.742  1.0
  Cu  Cu7  1  0.500  0.000  0.258  1.0
  Cu  Cu8  1  0.000  0.500  0.258  1.0
  Cu  Cu9  1  0.000  0.500  0.742  1.0
  O  O10  1  0.809  0.309  0.772  1.0
  O  O11  1  0.691  0.191  0.228  1.0
  O  O12  1  0.191  0.691  0.772  1.0
  O  O13  1  0.309  0.809  0.228  1.0
  O  O14  1  0.309  0.191  0.772  1.0
  O  O15  1  0.809  0.691  0.228  1.0
  O  O16  1  0.191  0.309  0.228  1.0
  O  O17  1  0.691  0.809  0.772  1.0
[/CIF]
.
The compound described by Ba(CuO)4 crystallizes in the tetragonal P4/nbm space group. Ba(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to two equivalent Ba(1), one Cu(1), and one Cu(2) atom to form a mixture of distorted corner and edge-sharing OBa2Cu2 tetrahedra. is represented by the CIF file [CIF]
data_Ba(CuO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.639
_cell_length_b   6.639
_cell_length_c   6.286
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.069
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Cu  Cu2  1  0.750  0.250  0.500  1.0
  Cu  Cu3  1  0.250  0.750  0.500  1.0
  Cu  Cu4  1  0.750  0.750  0.500  1.0
  Cu  Cu5  1  0.250  0.250  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.742  1.0
  Cu  Cu7  1  0.500  0.000  0.258  1.0
  Cu  Cu8  1  0.000  0.500  0.258  1.0
  Cu  Cu9  1  0.000  0.500  0.742  1.0
  O  O10  1  0.809  0.309  0.772  1.0
  O  O11  1  0.691  0.191  0.228  1.0
  O  O12  1  0.191  0.691  0.772  1.0
  O  O13  1  0.309  0.809  0.228  1.0
  O  O14  1  0.309  0.191  0.772  1.0
  O  O15  1  0.809  0.691  0.228  1.0
  O  O16  1  0.191  0.309  0.228  1.0
  O  O17  1  0.691  0.809  0.772  1.0
[/CIF]
.