The compound described by CuSeO5 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form distorted edge-sharing CuO5 square pyramids. Se(1) is bonded in a trigonal non-coplanar 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 bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. is represented by the CIF card [CIF]
data_CuSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   7.962
_cell_length_c   10.711
_cell_angle_alpha   90.000
_cell_angle_beta   124.587
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.038
_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  0.176  0.145  0.030  1.0
  Cu  Cu1  1  0.176  0.355  0.530  1.0
  Cu  Cu2  1  0.824  0.855  0.970  1.0
  Cu  Cu3  1  0.824  0.645  0.470  1.0
  Se  Se4  1  0.220  0.625  0.336  1.0
  Se  Se5  1  0.220  0.875  0.836  1.0
  Se  Se6  1  0.780  0.375  0.664  1.0
  Se  Se7  1  0.780  0.125  0.164  1.0
  O  O8  1  0.067  0.802  0.246  1.0
  O  O9  1  0.067  0.698  0.746  1.0
  O  O10  1  0.933  0.198  0.754  1.0
  O  O11  1  0.933  0.302  0.254  1.0
  O  O12  1  0.867  0.096  0.026  1.0
  O  O13  1  0.867  0.404  0.526  1.0
  O  O14  1  0.133  0.904  0.974  1.0
  O  O15  1  0.133  0.596  0.474  1.0
  O  O16  1  0.538  0.692  0.479  1.0
  O  O17  1  0.538  0.808  0.979  1.0
  O  O18  1  0.462  0.308  0.521  1.0
  O  O19  1  0.462  0.192  0.021  1.0
  O  O20  1  0.615  0.973  0.382  1.0
  O  O21  1  0.615  0.527  0.882  1.0
  O  O22  1  0.385  0.027  0.618  1.0
  O  O23  1  0.385  0.473  0.118  1.0
  O  O24  1  0.233  0.372  0.121  1.0
  O  O25  1  0.233  0.128  0.621  1.0
  O  O26  1  0.767  0.628  0.879  1.0
  O  O27  1  0.767  0.872  0.379  1.0
[/CIF]
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The compound described by CuSeO5 crystallizes in the monoclinic P2_1/c space group. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(2) atoms to form distorted edge-sharing CuO5 square pyramids. Se(1) is bonded in a trigonal non-coplanar 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 bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to two equivalent Cu(1) and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. is represented by the CIF card [CIF]
data_CuSeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.225
_cell_length_b   7.962
_cell_length_c   10.711
_cell_angle_alpha   90.000
_cell_angle_beta   124.587
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   437.038
_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  0.176  0.145  0.030  1.0
  Cu  Cu1  1  0.176  0.355  0.530  1.0
  Cu  Cu2  1  0.824  0.855  0.970  1.0
  Cu  Cu3  1  0.824  0.645  0.470  1.0
  Se  Se4  1  0.220  0.625  0.336  1.0
  Se  Se5  1  0.220  0.875  0.836  1.0
  Se  Se6  1  0.780  0.375  0.664  1.0
  Se  Se7  1  0.780  0.125  0.164  1.0
  O  O8  1  0.067  0.802  0.246  1.0
  O  O9  1  0.067  0.698  0.746  1.0
  O  O10  1  0.933  0.198  0.754  1.0
  O  O11  1  0.933  0.302  0.254  1.0
  O  O12  1  0.867  0.096  0.026  1.0
  O  O13  1  0.867  0.404  0.526  1.0
  O  O14  1  0.133  0.904  0.974  1.0
  O  O15  1  0.133  0.596  0.474  1.0
  O  O16  1  0.538  0.692  0.479  1.0
  O  O17  1  0.538  0.808  0.979  1.0
  O  O18  1  0.462  0.308  0.521  1.0
  O  O19  1  0.462  0.192  0.021  1.0
  O  O20  1  0.615  0.973  0.382  1.0
  O  O21  1  0.615  0.527  0.882  1.0
  O  O22  1  0.385  0.027  0.618  1.0
  O  O23  1  0.385  0.473  0.118  1.0
  O  O24  1  0.233  0.372  0.121  1.0
  O  O25  1  0.233  0.128  0.621  1.0
  O  O26  1  0.767  0.628  0.879  1.0
  O  O27  1  0.767  0.872  0.379  1.0
[/CIF]
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