The compound described by BaCu3O4 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted linear geometry to two equivalent Cu(2) and eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Ba(1) and four equivalent O(1) atoms to form distorted corner-sharing CuBa2O4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.180
_cell_length_c   5.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.621
_symmetry_Int_Tables_number   1
_cell_volume   165.252
_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  0.734  0.266  0.500  1.0
  Cu  Cu2  1  0.266  0.734  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.909  0.642  0.500  1.0
  O  O5  1  0.091  0.358  0.500  1.0
  O  O6  1  0.642  0.909  0.500  1.0
  O  O7  1  0.358  0.091  0.500  1.0
[/CIF]
.
The compound described by BaCu3O4 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted linear geometry to two equivalent Cu(2) and eight equivalent O(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded to two equivalent Ba(1) and four equivalent O(1) atoms to form distorted corner-sharing CuBa2O4 octahedra. The corner-sharing octahedra are not tilted. O(1) is bonded in a distorted T-shaped geometry to two equivalent Ba(1), one Cu(2), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCu3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.180
_cell_length_b   6.180
_cell_length_c   5.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.621
_symmetry_Int_Tables_number   1
_cell_volume   165.252
_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  0.734  0.266  0.500  1.0
  Cu  Cu2  1  0.266  0.734  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.500  1.0
  O  O4  1  0.909  0.642  0.500  1.0
  O  O5  1  0.091  0.358  0.500  1.0
  O  O6  1  0.642  0.909  0.500  1.0
  O  O7  1  0.358  0.091  0.500  1.0
[/CIF]
.