The material structure described by Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent S(2)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.823
_cell_length_c   9.751
_cell_angle_alpha   61.799
_cell_angle_beta   61.799
_cell_angle_gamma   61.947
_symmetry_Int_Tables_number   1
_cell_volume   439.409
_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  0.367  0.865  0.970  1.0
  Cu  Cu1  1  0.865  0.367  0.470  1.0
  Cu  Cu2  1  0.135  0.633  0.530  1.0
  Cu  Cu3  1  0.633  0.135  0.030  1.0
  S  S4  1  0.755  0.539  0.833  1.0
  S  S5  1  0.539  0.755  0.333  1.0
  S  S6  1  0.032  0.968  0.750  1.0
  S  S7  1  0.968  0.032  0.250  1.0
  S  S8  1  0.461  0.245  0.667  1.0
  S  S9  1  0.245  0.461  0.167  1.0
  O  O10  1  0.828  0.978  0.886  1.0
  O  O11  1  0.978  0.828  0.386  1.0
  O  O12  1  0.858  0.477  0.945  1.0
  O  O13  1  0.598  0.750  0.810  1.0
  O  O14  1  0.889  0.553  0.657  1.0
  O  O15  1  0.477  0.858  0.445  1.0
  O  O16  1  0.190  0.935  0.807  1.0
  O  O17  1  0.643  0.396  0.876  1.0
  O  O18  1  0.750  0.598  0.310  1.0
  O  O19  1  0.553  0.889  0.157  1.0
  O  O20  1  0.935  0.190  0.307  1.0
  O  O21  1  0.604  0.357  0.624  1.0
  O  O22  1  0.396  0.643  0.376  1.0
  O  O23  1  0.065  0.810  0.693  1.0
  O  O24  1  0.447  0.111  0.843  1.0
  O  O25  1  0.250  0.402  0.690  1.0
  O  O26  1  0.357  0.604  0.124  1.0
  O  O27  1  0.810  0.065  0.193  1.0
  O  O28  1  0.523  0.142  0.555  1.0
  O  O29  1  0.111  0.447  0.343  1.0
  O  O30  1  0.402  0.250  0.190  1.0
  O  O31  1  0.142  0.523  0.055  1.0
  O  O32  1  0.022  0.172  0.614  1.0
  O  O33  1  0.172  0.022  0.114  1.0
[/CIF]
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The material structure described by Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share corners with two equivalent S(2)O4 tetrahedra and corners with three equivalent S(1)O4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SO4 tetrahedra that share corners with three equivalent Cu(1)O5 trigonal bipyramids. In the second S site, S(2) is bonded to two equivalent O(1) and two equivalent O(5) atoms to form SO4 tetrahedra that share corners with four equivalent Cu(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one S(1) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one S(1) atom. is represented by the CIF card [CIF]
data_Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.823
_cell_length_c   9.751
_cell_angle_alpha   61.799
_cell_angle_beta   61.799
_cell_angle_gamma   61.947
_symmetry_Int_Tables_number   1
_cell_volume   439.409
_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  0.367  0.865  0.970  1.0
  Cu  Cu1  1  0.865  0.367  0.470  1.0
  Cu  Cu2  1  0.135  0.633  0.530  1.0
  Cu  Cu3  1  0.633  0.135  0.030  1.0
  S  S4  1  0.755  0.539  0.833  1.0
  S  S5  1  0.539  0.755  0.333  1.0
  S  S6  1  0.032  0.968  0.750  1.0
  S  S7  1  0.968  0.032  0.250  1.0
  S  S8  1  0.461  0.245  0.667  1.0
  S  S9  1  0.245  0.461  0.167  1.0
  O  O10  1  0.828  0.978  0.886  1.0
  O  O11  1  0.978  0.828  0.386  1.0
  O  O12  1  0.858  0.477  0.945  1.0
  O  O13  1  0.598  0.750  0.810  1.0
  O  O14  1  0.889  0.553  0.657  1.0
  O  O15  1  0.477  0.858  0.445  1.0
  O  O16  1  0.190  0.935  0.807  1.0
  O  O17  1  0.643  0.396  0.876  1.0
  O  O18  1  0.750  0.598  0.310  1.0
  O  O19  1  0.553  0.889  0.157  1.0
  O  O20  1  0.935  0.190  0.307  1.0
  O  O21  1  0.604  0.357  0.624  1.0
  O  O22  1  0.396  0.643  0.376  1.0
  O  O23  1  0.065  0.810  0.693  1.0
  O  O24  1  0.447  0.111  0.843  1.0
  O  O25  1  0.250  0.402  0.690  1.0
  O  O26  1  0.357  0.604  0.124  1.0
  O  O27  1  0.810  0.065  0.193  1.0
  O  O28  1  0.523  0.142  0.555  1.0
  O  O29  1  0.111  0.447  0.343  1.0
  O  O30  1  0.402  0.250  0.190  1.0
  O  O31  1  0.142  0.523  0.055  1.0
  O  O32  1  0.022  0.172  0.614  1.0
  O  O33  1  0.172  0.022  0.114  1.0
[/CIF]
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