The material described by Cs3Cu2Br5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(2), two equivalent Br(3), and four equivalent Br(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cu(2), two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one Br(2) and two equivalent Br(4) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent Cs(2), one Br(1), one Br(3), and two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Cu(2) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Cs(2), and one Cu(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Cu(2) atom. In the fourth Br site, Br(4) is bonded in a 7-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Cs3Cu2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.683
_cell_length_b   11.016
_cell_length_c   13.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1453.063
_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  0.403  0.750  0.452  1.0
  Cs  Cs1  1  0.547  0.512  0.823  1.0
  Cs  Cs2  1  0.097  0.250  0.952  1.0
  Cs  Cs3  1  0.047  0.512  0.677  1.0
  Cs  Cs4  1  0.453  0.488  0.177  1.0
  Cs  Cs5  1  0.047  0.988  0.677  1.0
  Cs  Cs6  1  0.547  0.988  0.823  1.0
  Cs  Cs7  1  0.953  0.488  0.323  1.0
  Cs  Cs8  1  0.953  0.012  0.323  1.0
  Cs  Cs9  1  0.903  0.750  0.048  1.0
  Cs  Cs10  1  0.597  0.250  0.548  1.0
  Cs  Cs11  1  0.453  0.012  0.177  1.0
  Cu  Cu12  1  0.746  0.750  0.631  1.0
  Cu  Cu13  1  0.293  0.750  0.047  1.0
  Cu  Cu14  1  0.254  0.250  0.369  1.0
  Cu  Cu15  1  0.754  0.250  0.131  1.0
  Cu  Cu16  1  0.207  0.250  0.547  1.0
  Cu  Cu17  1  0.707  0.250  0.953  1.0
  Cu  Cu18  1  0.793  0.750  0.453  1.0
  Cu  Cu19  1  0.246  0.750  0.869  1.0
  Br  Br20  1  0.534  0.750  0.012  1.0
  Br  Br21  1  0.668  0.250  0.291  1.0
  Br  Br22  1  0.297  0.250  0.710  1.0
  Br  Br23  1  0.168  0.250  0.209  1.0
  Br  Br24  1  0.034  0.750  0.488  1.0
  Br  Br25  1  0.192  0.937  0.948  1.0
  Br  Br26  1  0.703  0.750  0.290  1.0
  Br  Br27  1  0.808  0.063  0.052  1.0
  Br  Br28  1  0.308  0.063  0.448  1.0
  Br  Br29  1  0.832  0.750  0.791  1.0
  Br  Br30  1  0.966  0.250  0.512  1.0
  Br  Br31  1  0.808  0.437  0.052  1.0
  Br  Br32  1  0.466  0.250  0.988  1.0
  Br  Br33  1  0.332  0.750  0.709  1.0
  Br  Br34  1  0.692  0.563  0.552  1.0
  Br  Br35  1  0.692  0.937  0.552  1.0
  Br  Br36  1  0.308  0.437  0.448  1.0
  Br  Br37  1  0.797  0.250  0.790  1.0
  Br  Br38  1  0.203  0.750  0.210  1.0
  Br  Br39  1  0.192  0.563  0.948  1.0
[/CIF]
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The material described by Cs3Cu2Br5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 8-coordinate geometry to one Br(1), one Br(2), two equivalent Br(3), and four equivalent Br(4) atoms. In the second Cs site, Cs(2) is bonded in a 10-coordinate geometry to one Cu(2), two equivalent Br(1), two equivalent Br(2), two equivalent Br(3), and three equivalent Br(4) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to one Br(2) and two equivalent Br(4) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to two equivalent Cs(2), one Br(1), one Br(3), and two equivalent Br(4) atoms. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted single-bond geometry to one Cs(1), four equivalent Cs(2), and one Cu(2) atom. In the second Br site, Br(2) is bonded in a 6-coordinate geometry to one Cs(1), four equivalent Cs(2), and one Cu(1) atom. In the third Br site, Br(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), four equivalent Cs(2), and one Cu(2) atom. In the fourth Br site, Br(4) is bonded in a 7-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), one Cu(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Cs3Cu2Br5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.683
_cell_length_b   11.016
_cell_length_c   13.623
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1453.063
_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  0.403  0.750  0.452  1.0
  Cs  Cs1  1  0.547  0.512  0.823  1.0
  Cs  Cs2  1  0.097  0.250  0.952  1.0
  Cs  Cs3  1  0.047  0.512  0.677  1.0
  Cs  Cs4  1  0.453  0.488  0.177  1.0
  Cs  Cs5  1  0.047  0.988  0.677  1.0
  Cs  Cs6  1  0.547  0.988  0.823  1.0
  Cs  Cs7  1  0.953  0.488  0.323  1.0
  Cs  Cs8  1  0.953  0.012  0.323  1.0
  Cs  Cs9  1  0.903  0.750  0.048  1.0
  Cs  Cs10  1  0.597  0.250  0.548  1.0
  Cs  Cs11  1  0.453  0.012  0.177  1.0
  Cu  Cu12  1  0.746  0.750  0.631  1.0
  Cu  Cu13  1  0.293  0.750  0.047  1.0
  Cu  Cu14  1  0.254  0.250  0.369  1.0
  Cu  Cu15  1  0.754  0.250  0.131  1.0
  Cu  Cu16  1  0.207  0.250  0.547  1.0
  Cu  Cu17  1  0.707  0.250  0.953  1.0
  Cu  Cu18  1  0.793  0.750  0.453  1.0
  Cu  Cu19  1  0.246  0.750  0.869  1.0
  Br  Br20  1  0.534  0.750  0.012  1.0
  Br  Br21  1  0.668  0.250  0.291  1.0
  Br  Br22  1  0.297  0.250  0.710  1.0
  Br  Br23  1  0.168  0.250  0.209  1.0
  Br  Br24  1  0.034  0.750  0.488  1.0
  Br  Br25  1  0.192  0.937  0.948  1.0
  Br  Br26  1  0.703  0.750  0.290  1.0
  Br  Br27  1  0.808  0.063  0.052  1.0
  Br  Br28  1  0.308  0.063  0.448  1.0
  Br  Br29  1  0.832  0.750  0.791  1.0
  Br  Br30  1  0.966  0.250  0.512  1.0
  Br  Br31  1  0.808  0.437  0.052  1.0
  Br  Br32  1  0.466  0.250  0.988  1.0
  Br  Br33  1  0.332  0.750  0.709  1.0
  Br  Br34  1  0.692  0.563  0.552  1.0
  Br  Br35  1  0.692  0.937  0.552  1.0
  Br  Br36  1  0.308  0.437  0.448  1.0
  Br  Br37  1  0.797  0.250  0.790  1.0
  Br  Br38  1  0.203  0.750  0.210  1.0
  Br  Br39  1  0.192  0.563  0.948  1.0
[/CIF]
.