The material structure described by BaCu2O2 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   5.739
_cell_length_c   6.486
_cell_angle_alpha   116.260
_cell_angle_beta   116.260
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.643
_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  0.875  0.125  0.750  1.0
  Ba  Ba1  1  0.125  0.875  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.612  0.862  0.224  1.0
  O  O7  1  0.862  0.612  0.724  1.0
  O  O8  1  0.388  0.138  0.776  1.0
  O  O9  1  0.138  0.388  0.276  1.0
[/CIF]
.
The material structure described by BaCu2O2 crystallizes in the tetragonal I4_1/amd space group. Ba(1) is bonded to six equivalent O(1) atoms to form a mixture of corner and edge-sharing BaO6 octahedra. The corner-sharing octahedral tilt angles are 5°. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. O(1) is bonded to three equivalent Ba(1) and two equivalent Cu(1) atoms to form a mixture of distorted corner and edge-sharing OBa3Cu2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Ba(CuO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.739
_cell_length_b   5.739
_cell_length_c   6.486
_cell_angle_alpha   116.260
_cell_angle_beta   116.260
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.643
_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  0.875  0.125  0.750  1.0
  Ba  Ba1  1  0.125  0.875  0.250  1.0
  Cu  Cu2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.612  0.862  0.224  1.0
  O  O7  1  0.862  0.612  0.724  1.0
  O  O8  1  0.388  0.138  0.776  1.0
  O  O9  1  0.138  0.388  0.276  1.0
[/CIF]
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