The material structure described by Cu2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Cu2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   2.991
_cell_length_c   12.835
_cell_angle_alpha   80.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.033
_cell_formula_units_Z   4
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  0.510  0.018  0.721  1.0
  Cu  Cu1  1  0.010  0.982  0.779  1.0
  Cu  Cu2  1  0.490  0.982  0.279  1.0
  Cu  Cu3  1  0.990  0.018  0.221  1.0
  Cu  Cu4  1  0.741  0.405  0.879  1.0
  Cu  Cu5  1  0.241  0.595  0.621  1.0
  Cu  Cu6  1  0.259  0.595  0.121  1.0
  Cu  Cu7  1  0.759  0.405  0.379  1.0
  C  C8  1  0.783  0.368  0.629  1.0
  C  C9  1  0.283  0.632  0.871  1.0
  C  C10  1  0.217  0.632  0.371  1.0
  C  C11  1  0.717  0.368  0.129  1.0
  O  O12  1  0.638  0.444  0.634  1.0
  O  O13  1  0.138  0.556  0.866  1.0
  O  O14  1  0.362  0.556  0.366  1.0
  O  O15  1  0.862  0.444  0.134  1.0
  O  O16  1  0.857  0.395  0.717  1.0
  O  O17  1  0.357  0.605  0.783  1.0
  O  O18  1  0.143  0.605  0.283  1.0
  O  O19  1  0.643  0.395  0.217  1.0
  O  O20  1  0.845  0.288  0.548  1.0
  O  O21  1  0.345  0.712  0.952  1.0
  O  O22  1  0.155  0.712  0.452  1.0
  O  O23  1  0.655  0.288  0.048  1.0
  O  O24  1  0.616  0.932  0.847  1.0
  O  O25  1  0.116  0.068  0.653  1.0
  O  O26  1  0.384  0.068  0.153  1.0
  O  O27  1  0.884  0.932  0.347  1.0
  O  O28  1  0.874  0.890  0.897  1.0
  O  O29  1  0.374  0.110  0.603  1.0
  O  O30  1  0.126  0.110  0.103  1.0
  O  O31  1  0.626  0.890  0.397  1.0
[/CIF]
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The material structure described by Cu2CO5 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the second Cu site, Cu(2) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form a mixture of distorted corner and edge-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Cu(1) and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Cu(2), two equivalent Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cu(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Cu(1) and two equivalent Cu(2) atoms. is represented by the CIF card [CIF]
data_Cu2CO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   2.991
_cell_length_c   12.835
_cell_angle_alpha   80.056
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.033
_cell_formula_units_Z   4
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  0.510  0.018  0.721  1.0
  Cu  Cu1  1  0.010  0.982  0.779  1.0
  Cu  Cu2  1  0.490  0.982  0.279  1.0
  Cu  Cu3  1  0.990  0.018  0.221  1.0
  Cu  Cu4  1  0.741  0.405  0.879  1.0
  Cu  Cu5  1  0.241  0.595  0.621  1.0
  Cu  Cu6  1  0.259  0.595  0.121  1.0
  Cu  Cu7  1  0.759  0.405  0.379  1.0
  C  C8  1  0.783  0.368  0.629  1.0
  C  C9  1  0.283  0.632  0.871  1.0
  C  C10  1  0.217  0.632  0.371  1.0
  C  C11  1  0.717  0.368  0.129  1.0
  O  O12  1  0.638  0.444  0.634  1.0
  O  O13  1  0.138  0.556  0.866  1.0
  O  O14  1  0.362  0.556  0.366  1.0
  O  O15  1  0.862  0.444  0.134  1.0
  O  O16  1  0.857  0.395  0.717  1.0
  O  O17  1  0.357  0.605  0.783  1.0
  O  O18  1  0.143  0.605  0.283  1.0
  O  O19  1  0.643  0.395  0.217  1.0
  O  O20  1  0.845  0.288  0.548  1.0
  O  O21  1  0.345  0.712  0.952  1.0
  O  O22  1  0.155  0.712  0.452  1.0
  O  O23  1  0.655  0.288  0.048  1.0
  O  O24  1  0.616  0.932  0.847  1.0
  O  O25  1  0.116  0.068  0.653  1.0
  O  O26  1  0.384  0.068  0.153  1.0
  O  O27  1  0.884  0.932  0.347  1.0
  O  O28  1  0.874  0.890  0.897  1.0
  O  O29  1  0.374  0.110  0.603  1.0
  O  O30  1  0.126  0.110  0.103  1.0
  O  O31  1  0.626  0.890  0.397  1.0
[/CIF]
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