The compound described by Cu2SO5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. S(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(2)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cu(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   5.622
_cell_length_c   7.620
_cell_angle_alpha   63.844
_cell_angle_beta   63.844
_cell_angle_gamma   67.807
_symmetry_Int_Tables_number   1
_cell_volume   188.952
_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  0.069  0.069  0.780  1.0
  Cu  Cu1  1  0.931  0.931  0.220  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.602  0.602  0.684  1.0
  S  S5  1  0.398  0.398  0.316  1.0
  O  O6  1  0.703  0.318  0.251  1.0
  O  O7  1  0.682  0.297  0.749  1.0
  O  O8  1  0.297  0.682  0.749  1.0
  O  O9  1  0.318  0.703  0.251  1.0
  O  O10  1  0.151  0.151  0.976  1.0
  O  O11  1  0.849  0.849  0.024  1.0
  O  O12  1  0.299  0.299  0.219  1.0
  O  O13  1  0.701  0.701  0.781  1.0
  O  O14  1  0.706  0.706  0.458  1.0
  O  O15  1  0.294  0.294  0.542  1.0
[/CIF]
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The compound described by Cu2SO5 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CuO5 trigonal bipyramids that share corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent S(1)O4 tetrahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Cu(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 62°. In the second Cu site, Cu(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with four equivalent S(1)O4 tetrahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent Cu(2)O6 octahedra, and edges with two equivalent Cu(1)O5 trigonal bipyramids. S(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(2)O6 octahedra and corners with three equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 43-48°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(2), and one S(1) atom. In the second O site, O(2) is bonded to two equivalent Cu(1) and two equivalent Cu(2) atoms to form a mixture of edge and corner-sharing OCu4 tetrahedra. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Cu(2) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu2SO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.622
_cell_length_b   5.622
_cell_length_c   7.620
_cell_angle_alpha   63.844
_cell_angle_beta   63.844
_cell_angle_gamma   67.807
_symmetry_Int_Tables_number   1
_cell_volume   188.952
_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  0.069  0.069  0.780  1.0
  Cu  Cu1  1  0.931  0.931  0.220  1.0
  Cu  Cu2  1  0.000  0.500  0.000  1.0
  Cu  Cu3  1  0.500  0.000  0.000  1.0
  S  S4  1  0.602  0.602  0.684  1.0
  S  S5  1  0.398  0.398  0.316  1.0
  O  O6  1  0.703  0.318  0.251  1.0
  O  O7  1  0.682  0.297  0.749  1.0
  O  O8  1  0.297  0.682  0.749  1.0
  O  O9  1  0.318  0.703  0.251  1.0
  O  O10  1  0.151  0.151  0.976  1.0
  O  O11  1  0.849  0.849  0.024  1.0
  O  O12  1  0.299  0.299  0.219  1.0
  O  O13  1  0.701  0.701  0.781  1.0
  O  O14  1  0.706  0.706  0.458  1.0
  O  O15  1  0.294  0.294  0.542  1.0
[/CIF]
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