The compound described by CuO crystallizes in the orthorhombic Pnma 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 in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. 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 4-coordinate geometry to one Cu(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.830
_cell_length_b   6.462
_cell_length_c   12.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.499
_cell_formula_units_Z   8
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  0.250  0.108  0.254  1.0
  Cu  Cu1  1  0.750  0.392  0.754  1.0
  Cu  Cu2  1  0.250  0.608  0.246  1.0
  Cu  Cu3  1  0.750  0.892  0.746  1.0
  Cu  Cu4  1  0.250  0.151  0.598  1.0
  Cu  Cu5  1  0.750  0.349  0.098  1.0
  Cu  Cu6  1  0.250  0.651  0.902  1.0
  Cu  Cu7  1  0.750  0.849  0.402  1.0
  O  O8  1  0.250  0.158  0.109  1.0
  O  O9  1  0.250  0.044  0.398  1.0
  O  O10  1  0.750  0.456  0.898  1.0
  O  O11  1  0.750  0.342  0.609  1.0
  O  O12  1  0.250  0.658  0.391  1.0
  O  O13  1  0.250  0.544  0.102  1.0
  O  O14  1  0.750  0.956  0.602  1.0
  O  O15  1  0.750  0.842  0.891  1.0
[/CIF]
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The compound described by CuO crystallizes in the orthorhombic Pnma 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 in a 5-coordinate geometry to two equivalent O(1) and three equivalent O(2) atoms. 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 4-coordinate geometry to one Cu(1) and three equivalent Cu(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.830
_cell_length_b   6.462
_cell_length_c   12.332
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   225.499
_cell_formula_units_Z   8
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  0.250  0.108  0.254  1.0
  Cu  Cu1  1  0.750  0.392  0.754  1.0
  Cu  Cu2  1  0.250  0.608  0.246  1.0
  Cu  Cu3  1  0.750  0.892  0.746  1.0
  Cu  Cu4  1  0.250  0.151  0.598  1.0
  Cu  Cu5  1  0.750  0.349  0.098  1.0
  Cu  Cu6  1  0.250  0.651  0.902  1.0
  Cu  Cu7  1  0.750  0.849  0.402  1.0
  O  O8  1  0.250  0.158  0.109  1.0
  O  O9  1  0.250  0.044  0.398  1.0
  O  O10  1  0.750  0.456  0.898  1.0
  O  O11  1  0.750  0.342  0.609  1.0
  O  O12  1  0.250  0.658  0.391  1.0
  O  O13  1  0.250  0.544  0.102  1.0
  O  O14  1  0.750  0.956  0.602  1.0
  O  O15  1  0.750  0.842  0.891  1.0
[/CIF]
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