The material described by Cs3Cu5O4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Cs site, Cs(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(4) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(3) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(1) and one O(4) atom. In the fifth Cu site, Cu(5) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cs(2), one Cs(3), two equivalent Cs(1), one Cu(2), and one Cu(4) atom to form distorted edge-sharing OCs4Cu2 octahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(3), one Cu(1), one Cu(3), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Cu(2), one Cu(4), and one Cu(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Cu5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.535
_cell_length_b   10.329
_cell_length_c   14.777
_cell_angle_alpha   73.779
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1104.287
_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
  Cs  Cs0  1  0.090  0.321  0.109  1.0
  Cs  Cs1  1  0.590  0.679  0.391  1.0
  Cs  Cs2  1  0.910  0.679  0.891  1.0
  Cs  Cs3  1  0.410  0.321  0.609  1.0
  Cs  Cs4  1  0.702  0.276  0.918  1.0
  Cs  Cs5  1  0.202  0.724  0.582  1.0
  Cs  Cs6  1  0.298  0.724  0.082  1.0
  Cs  Cs7  1  0.798  0.276  0.418  1.0
  Cs  Cs8  1  0.171  0.104  0.906  1.0
  Cs  Cs9  1  0.671  0.896  0.594  1.0
  Cs  Cs10  1  0.829  0.896  0.094  1.0
  Cs  Cs11  1  0.329  0.104  0.406  1.0
  Cu  Cu12  1  0.077  0.066  0.628  1.0
  Cu  Cu13  1  0.044  0.430  0.768  1.0
  Cu  Cu14  1  0.956  0.570  0.232  1.0
  Cu  Cu15  1  0.456  0.430  0.268  1.0
  Cu  Cu16  1  0.677  0.064  0.260  1.0
  Cu  Cu17  1  0.177  0.936  0.240  1.0
  Cu  Cu18  1  0.323  0.936  0.740  1.0
  Cu  Cu19  1  0.823  0.064  0.760  1.0
  Cu  Cu20  1  0.796  0.529  0.627  1.0
  Cu  Cu21  1  0.296  0.471  0.873  1.0
  Cu  Cu22  1  0.204  0.471  0.373  1.0
  Cu  Cu23  1  0.704  0.529  0.127  1.0
  Cu  Cu24  1  0.935  0.294  0.643  1.0
  Cu  Cu25  1  0.435  0.706  0.857  1.0
  Cu  Cu26  1  0.065  0.706  0.357  1.0
  Cu  Cu27  1  0.565  0.294  0.143  1.0
  Cu  Cu28  1  0.923  0.934  0.372  1.0
  Cu  Cu29  1  0.423  0.066  0.128  1.0
  Cu  Cu30  1  0.544  0.570  0.732  1.0
  Cu  Cu31  1  0.577  0.934  0.872  1.0
  O  O32  1  0.425  0.399  0.394  1.0
  O  O33  1  0.925  0.601  0.106  1.0
  O  O34  1  0.575  0.601  0.606  1.0
  O  O35  1  0.075  0.399  0.894  1.0
  O  O36  1  0.297  0.004  0.614  1.0
  O  O37  1  0.797  0.996  0.886  1.0
  O  O38  1  0.703  0.996  0.386  1.0
  O  O39  1  0.203  0.004  0.114  1.0
  O  O40  1  0.851  0.133  0.632  1.0
  O  O41  1  0.351  0.867  0.868  1.0
  O  O42  1  0.149  0.867  0.368  1.0
  O  O43  1  0.649  0.133  0.132  1.0
  O  O44  1  0.522  0.540  0.860  1.0
  O  O45  1  0.022  0.460  0.640  1.0
  O  O46  1  0.478  0.460  0.140  1.0
  O  O47  1  0.978  0.540  0.360  1.0
[/CIF]
.
The material described by Cs3Cu5O4 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. In the third Cs site, Cs(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(3), and two equivalent O(2) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a linear geometry to one O(2) and one O(3) atom. In the second Cu site, Cu(2) is bonded in a linear geometry to one O(1) and one O(4) atom. In the third Cu site, Cu(3) is bonded in a linear geometry to one O(2) and one O(3) atom. In the fourth Cu site, Cu(4) is bonded in a linear geometry to one O(1) and one O(4) atom. In the fifth Cu site, Cu(5) is bonded in a linear geometry to one O(3) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Cs(2), one Cs(3), two equivalent Cs(1), one Cu(2), and one Cu(4) atom to form distorted edge-sharing OCs4Cu2 octahedra. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), one Cs(2), two equivalent Cs(3), one Cu(1), and one Cu(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cs(2), one Cs(3), one Cu(1), one Cu(3), and one Cu(5) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(2), one Cu(2), one Cu(4), and one Cu(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cs3Cu5O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.535
_cell_length_b   10.329
_cell_length_c   14.777
_cell_angle_alpha   73.779
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1104.287
_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
  Cs  Cs0  1  0.090  0.321  0.109  1.0
  Cs  Cs1  1  0.590  0.679  0.391  1.0
  Cs  Cs2  1  0.910  0.679  0.891  1.0
  Cs  Cs3  1  0.410  0.321  0.609  1.0
  Cs  Cs4  1  0.702  0.276  0.918  1.0
  Cs  Cs5  1  0.202  0.724  0.582  1.0
  Cs  Cs6  1  0.298  0.724  0.082  1.0
  Cs  Cs7  1  0.798  0.276  0.418  1.0
  Cs  Cs8  1  0.171  0.104  0.906  1.0
  Cs  Cs9  1  0.671  0.896  0.594  1.0
  Cs  Cs10  1  0.829  0.896  0.094  1.0
  Cs  Cs11  1  0.329  0.104  0.406  1.0
  Cu  Cu12  1  0.077  0.066  0.628  1.0
  Cu  Cu13  1  0.044  0.430  0.768  1.0
  Cu  Cu14  1  0.956  0.570  0.232  1.0
  Cu  Cu15  1  0.456  0.430  0.268  1.0
  Cu  Cu16  1  0.677  0.064  0.260  1.0
  Cu  Cu17  1  0.177  0.936  0.240  1.0
  Cu  Cu18  1  0.323  0.936  0.740  1.0
  Cu  Cu19  1  0.823  0.064  0.760  1.0
  Cu  Cu20  1  0.796  0.529  0.627  1.0
  Cu  Cu21  1  0.296  0.471  0.873  1.0
  Cu  Cu22  1  0.204  0.471  0.373  1.0
  Cu  Cu23  1  0.704  0.529  0.127  1.0
  Cu  Cu24  1  0.935  0.294  0.643  1.0
  Cu  Cu25  1  0.435  0.706  0.857  1.0
  Cu  Cu26  1  0.065  0.706  0.357  1.0
  Cu  Cu27  1  0.565  0.294  0.143  1.0
  Cu  Cu28  1  0.923  0.934  0.372  1.0
  Cu  Cu29  1  0.423  0.066  0.128  1.0
  Cu  Cu30  1  0.544  0.570  0.732  1.0
  Cu  Cu31  1  0.577  0.934  0.872  1.0
  O  O32  1  0.425  0.399  0.394  1.0
  O  O33  1  0.925  0.601  0.106  1.0
  O  O34  1  0.575  0.601  0.606  1.0
  O  O35  1  0.075  0.399  0.894  1.0
  O  O36  1  0.297  0.004  0.614  1.0
  O  O37  1  0.797  0.996  0.886  1.0
  O  O38  1  0.703  0.996  0.386  1.0
  O  O39  1  0.203  0.004  0.114  1.0
  O  O40  1  0.851  0.133  0.632  1.0
  O  O41  1  0.351  0.867  0.868  1.0
  O  O42  1  0.149  0.867  0.368  1.0
  O  O43  1  0.649  0.133  0.132  1.0
  O  O44  1  0.522  0.540  0.860  1.0
  O  O45  1  0.022  0.460  0.640  1.0
  O  O46  1  0.478  0.460  0.140  1.0
  O  O47  1  0.978  0.540  0.360  1.0
[/CIF]
.