The crystal structure described by CuO crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing CuO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1) and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_CuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   12.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.059
_cell_formula_units_Z   16
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
  Cu  Cu0  1  0.246  0.500  0.753  1.0
  Cu  Cu1  1  0.500  0.246  0.247  1.0
  Cu  Cu2  1  0.500  0.754  0.247  1.0
  Cu  Cu3  1  0.754  0.500  0.753  1.0
  Cu  Cu4  1  0.746  0.000  0.747  1.0
  Cu  Cu5  1  0.000  0.746  0.253  1.0
  Cu  Cu6  1  0.000  0.254  0.253  1.0
  Cu  Cu7  1  0.254  0.000  0.747  1.0
  Cu  Cu8  1  0.247  0.500  0.099  1.0
  Cu  Cu9  1  0.500  0.247  0.901  1.0
  Cu  Cu10  1  0.500  0.753  0.901  1.0
  Cu  Cu11  1  0.753  0.500  0.099  1.0
  Cu  Cu12  1  0.747  0.000  0.401  1.0
  Cu  Cu13  1  0.000  0.747  0.599  1.0
  Cu  Cu14  1  0.000  0.253  0.599  1.0
  Cu  Cu15  1  0.253  0.000  0.401  1.0
  O  O16  1  0.286  0.000  0.890  1.0
  O  O17  1  0.286  0.500  0.897  1.0
  O  O18  1  0.500  0.786  0.390  1.0
  O  O19  1  0.500  0.214  0.390  1.0
  O  O20  1  0.500  0.286  0.103  1.0
  O  O21  1  0.500  0.714  0.103  1.0
  O  O22  1  0.714  0.500  0.897  1.0
  O  O23  1  0.714  0.000  0.890  1.0
  O  O24  1  0.786  0.500  0.610  1.0
  O  O25  1  0.786  0.000  0.603  1.0
  O  O26  1  0.000  0.714  0.110  1.0
  O  O27  1  0.000  0.286  0.110  1.0
  O  O28  1  0.000  0.786  0.397  1.0
  O  O29  1  0.000  0.214  0.397  1.0
  O  O30  1  0.214  0.000  0.603  1.0
  O  O31  1  0.214  0.500  0.610  1.0
[/CIF]
.
The crystal structure described by CuO crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(1) and one O(2) atom. In the second Cu site, Cu(2) is bonded to two equivalent O(1) and three equivalent O(2) atoms to form distorted edge-sharing CuO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1) and three equivalent Cu(2) atoms. is represented by the CIF file [CIF]
data_CuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.748
_cell_length_b   5.748
_cell_length_c   12.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   418.059
_cell_formula_units_Z   16
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
  Cu  Cu0  1  0.246  0.500  0.753  1.0
  Cu  Cu1  1  0.500  0.246  0.247  1.0
  Cu  Cu2  1  0.500  0.754  0.247  1.0
  Cu  Cu3  1  0.754  0.500  0.753  1.0
  Cu  Cu4  1  0.746  0.000  0.747  1.0
  Cu  Cu5  1  0.000  0.746  0.253  1.0
  Cu  Cu6  1  0.000  0.254  0.253  1.0
  Cu  Cu7  1  0.254  0.000  0.747  1.0
  Cu  Cu8  1  0.247  0.500  0.099  1.0
  Cu  Cu9  1  0.500  0.247  0.901  1.0
  Cu  Cu10  1  0.500  0.753  0.901  1.0
  Cu  Cu11  1  0.753  0.500  0.099  1.0
  Cu  Cu12  1  0.747  0.000  0.401  1.0
  Cu  Cu13  1  0.000  0.747  0.599  1.0
  Cu  Cu14  1  0.000  0.253  0.599  1.0
  Cu  Cu15  1  0.253  0.000  0.401  1.0
  O  O16  1  0.286  0.000  0.890  1.0
  O  O17  1  0.286  0.500  0.897  1.0
  O  O18  1  0.500  0.786  0.390  1.0
  O  O19  1  0.500  0.214  0.390  1.0
  O  O20  1  0.500  0.286  0.103  1.0
  O  O21  1  0.500  0.714  0.103  1.0
  O  O22  1  0.714  0.500  0.897  1.0
  O  O23  1  0.714  0.000  0.890  1.0
  O  O24  1  0.786  0.500  0.610  1.0
  O  O25  1  0.786  0.000  0.603  1.0
  O  O26  1  0.000  0.714  0.110  1.0
  O  O27  1  0.000  0.286  0.110  1.0
  O  O28  1  0.000  0.786  0.397  1.0
  O  O29  1  0.000  0.214  0.397  1.0
  O  O30  1  0.214  0.000  0.603  1.0
  O  O31  1  0.214  0.500  0.610  1.0
[/CIF]
.