The structure described by Cu5Se2(O4Cl)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one O(4), and one Cl(1) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and one Cl(1) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 trigonal pyramids. Cl(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu5Se2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.137
_cell_length_b   5.421
_cell_length_c   11.080
_cell_angle_alpha   80.515
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.108
_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  0.286  0.517  0.117  1.0
  Cu  Cu1  1  0.925  0.477  0.120  1.0
  Cu  Cu2  1  0.075  0.523  0.880  1.0
  Cu  Cu3  1  0.714  0.483  0.883  1.0
  Cu  Cu4  1  0.425  0.523  0.380  1.0
  Cu  Cu5  1  0.575  0.477  0.620  1.0
  Cu  Cu6  1  0.214  0.517  0.617  1.0
  Cu  Cu7  1  0.786  0.483  0.383  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.091  0.865  0.287  1.0
  Se  Se11  1  0.409  0.865  0.787  1.0
  Se  Se12  1  0.909  0.135  0.713  1.0
  Se  Se13  1  0.591  0.135  0.213  1.0
  Cl  Cl14  1  0.653  0.721  0.024  1.0
  Cl  Cl15  1  0.347  0.279  0.976  1.0
  Cl  Cl16  1  0.847  0.721  0.524  1.0
  Cl  Cl17  1  0.153  0.279  0.476  1.0
  O  O18  1  0.558  0.650  0.761  1.0
  O  O19  1  0.567  0.920  0.341  1.0
  O  O20  1  0.232  0.712  0.752  1.0
  O  O21  1  0.058  0.350  0.739  1.0
  O  O22  1  0.067  0.080  0.159  1.0
  O  O23  1  0.942  0.650  0.261  1.0
  O  O24  1  0.399  0.671  0.528  1.0
  O  O25  1  0.601  0.329  0.472  1.0
  O  O26  1  0.433  0.080  0.659  1.0
  O  O27  1  0.933  0.920  0.841  1.0
  O  O28  1  0.268  0.712  0.252  1.0
  O  O29  1  0.442  0.350  0.239  1.0
  O  O30  1  0.768  0.288  0.248  1.0
  O  O31  1  0.732  0.288  0.748  1.0
  O  O32  1  0.899  0.329  0.972  1.0
  O  O33  1  0.101  0.671  0.028  1.0
[/CIF]
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The structure described by Cu5Se2(O4Cl)2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one O(4), and one Cl(1) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), two equivalent O(4), and one Cl(1) atom. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to two equivalent O(2) and two equivalent O(4) atoms. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one Se(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cu(1), one Cu(2), and one Se(1) atom. In the fourth O site, O(4) is bonded to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 trigonal pyramids. Cl(1) is bonded in a 2-coordinate geometry to one Cu(1) and one Cu(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu5Se2(ClO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.137
_cell_length_b   5.421
_cell_length_c   11.080
_cell_angle_alpha   80.515
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   482.108
_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  0.286  0.517  0.117  1.0
  Cu  Cu1  1  0.925  0.477  0.120  1.0
  Cu  Cu2  1  0.075  0.523  0.880  1.0
  Cu  Cu3  1  0.714  0.483  0.883  1.0
  Cu  Cu4  1  0.425  0.523  0.380  1.0
  Cu  Cu5  1  0.575  0.477  0.620  1.0
  Cu  Cu6  1  0.214  0.517  0.617  1.0
  Cu  Cu7  1  0.786  0.483  0.383  1.0
  Cu  Cu8  1  0.500  0.000  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.000  1.0
  Se  Se10  1  0.091  0.865  0.287  1.0
  Se  Se11  1  0.409  0.865  0.787  1.0
  Se  Se12  1  0.909  0.135  0.713  1.0
  Se  Se13  1  0.591  0.135  0.213  1.0
  Cl  Cl14  1  0.653  0.721  0.024  1.0
  Cl  Cl15  1  0.347  0.279  0.976  1.0
  Cl  Cl16  1  0.847  0.721  0.524  1.0
  Cl  Cl17  1  0.153  0.279  0.476  1.0
  O  O18  1  0.558  0.650  0.761  1.0
  O  O19  1  0.567  0.920  0.341  1.0
  O  O20  1  0.232  0.712  0.752  1.0
  O  O21  1  0.058  0.350  0.739  1.0
  O  O22  1  0.067  0.080  0.159  1.0
  O  O23  1  0.942  0.650  0.261  1.0
  O  O24  1  0.399  0.671  0.528  1.0
  O  O25  1  0.601  0.329  0.472  1.0
  O  O26  1  0.433  0.080  0.659  1.0
  O  O27  1  0.933  0.920  0.841  1.0
  O  O28  1  0.268  0.712  0.252  1.0
  O  O29  1  0.442  0.350  0.239  1.0
  O  O30  1  0.768  0.288  0.248  1.0
  O  O31  1  0.732  0.288  0.748  1.0
  O  O32  1  0.899  0.329  0.972  1.0
  O  O33  1  0.101  0.671  0.028  1.0
[/CIF]
.