The material described by CuC2O4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CuO6 octahedra. C(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Cu(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.514
_cell_length_b   8.690
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   106.095
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.613
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  C  C2  1  0.380  0.708  0.221  1.0
  C  C3  1  0.620  0.208  0.279  1.0
  C  C4  1  0.620  0.292  0.779  1.0
  C  C5  1  0.380  0.792  0.721  1.0
  O  O6  1  0.524  0.102  0.173  1.0
  O  O7  1  0.476  0.602  0.327  1.0
  O  O8  1  0.476  0.898  0.827  1.0
  O  O9  1  0.524  0.398  0.673  1.0
  O  O10  1  0.110  0.794  0.150  1.0
  O  O11  1  0.890  0.294  0.350  1.0
  O  O12  1  0.890  0.206  0.850  1.0
  O  O13  1  0.110  0.706  0.650  1.0
[/CIF]
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The material described by CuC2O4 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing CuO6 octahedra. C(1) is bonded in a bent 150 degrees geometry to one O(1) and one O(2) atom. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one C(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. is represented by the CIF file [CIF]
data_Cu(CO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.514
_cell_length_b   8.690
_cell_length_c   7.792
_cell_angle_alpha   90.000
_cell_angle_beta   106.095
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.613
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.000  0.500  0.500  1.0
  C  C2  1  0.380  0.708  0.221  1.0
  C  C3  1  0.620  0.208  0.279  1.0
  C  C4  1  0.620  0.292  0.779  1.0
  C  C5  1  0.380  0.792  0.721  1.0
  O  O6  1  0.524  0.102  0.173  1.0
  O  O7  1  0.476  0.602  0.327  1.0
  O  O8  1  0.476  0.898  0.827  1.0
  O  O9  1  0.524  0.398  0.673  1.0
  O  O10  1  0.110  0.794  0.150  1.0
  O  O11  1  0.890  0.294  0.350  1.0
  O  O12  1  0.890  0.206  0.850  1.0
  O  O13  1  0.110  0.706  0.650  1.0
[/CIF]
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