The compound described by Li3Cu2(SO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent S(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent S(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cu(2), and one S(1) atom to form corner-sharing OLi2CuS tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.146
_cell_length_c   9.146
_cell_angle_alpha   56.037
_cell_angle_beta   56.037
_cell_angle_gamma   56.037
_symmetry_Int_Tables_number   1
_cell_volume   491.248
_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
  Li  Li0  1  0.728  0.078  0.342  1.0
  Li  Li1  1  0.658  0.272  0.922  1.0
  Li  Li2  1  0.922  0.658  0.272  1.0
  Li  Li3  1  0.078  0.342  0.728  1.0
  Li  Li4  1  0.342  0.728  0.078  1.0
  Li  Li5  1  0.272  0.922  0.658  1.0
  Cu  Cu6  1  0.852  0.852  0.852  1.0
  Cu  Cu7  1  0.656  0.656  0.656  1.0
  Cu  Cu8  1  0.344  0.344  0.344  1.0
  Cu  Cu9  1  0.148  0.148  0.148  1.0
  S  S10  1  0.954  0.250  0.547  1.0
  S  S11  1  0.453  0.046  0.750  1.0
  S  S12  1  0.750  0.453  0.046  1.0
  S  S13  1  0.250  0.547  0.954  1.0
  S  S14  1  0.547  0.954  0.250  1.0
  S  S15  1  0.046  0.750  0.453  1.0
  O  O16  1  0.796  0.449  0.860  1.0
  O  O17  1  0.860  0.796  0.449  1.0
  O  O18  1  0.987  0.195  0.406  1.0
  O  O19  1  0.851  0.143  0.742  1.0
  O  O20  1  0.449  0.860  0.796  1.0
  O  O21  1  0.857  0.258  0.149  1.0
  O  O22  1  0.594  0.013  0.805  1.0
  O  O23  1  0.845  0.457  0.505  1.0
  O  O24  1  0.495  0.155  0.543  1.0
  O  O25  1  0.805  0.594  0.013  1.0
  O  O26  1  0.258  0.149  0.857  1.0
  O  O27  1  0.543  0.495  0.155  1.0
  O  O28  1  0.457  0.505  0.845  1.0
  O  O29  1  0.742  0.851  0.143  1.0
  O  O30  1  0.195  0.406  0.987  1.0
  O  O31  1  0.505  0.845  0.457  1.0
  O  O32  1  0.155  0.543  0.495  1.0
  O  O33  1  0.406  0.987  0.195  1.0
  O  O34  1  0.143  0.742  0.851  1.0
  O  O35  1  0.551  0.140  0.204  1.0
  O  O36  1  0.149  0.857  0.258  1.0
  O  O37  1  0.013  0.805  0.594  1.0
  O  O38  1  0.140  0.204  0.551  1.0
  O  O39  1  0.204  0.551  0.140  1.0
[/CIF]
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The compound described by Li3Cu2(SO4)3 crystallizes in the trigonal R-3 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-69°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form CuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and corners with six equivalent S(1)O4 tetrahedra. In the second Cu site, Cu(2) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form CuO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with six equivalent S(1)O4 tetrahedra, and edges with three equivalent Li(1)O4 tetrahedra. S(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SO4 tetrahedra that share corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Cu(2), and one S(1) atom to form corner-sharing OLi2CuS tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one S(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.146
_cell_length_b   9.146
_cell_length_c   9.146
_cell_angle_alpha   56.037
_cell_angle_beta   56.037
_cell_angle_gamma   56.037
_symmetry_Int_Tables_number   1
_cell_volume   491.248
_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
  Li  Li0  1  0.728  0.078  0.342  1.0
  Li  Li1  1  0.658  0.272  0.922  1.0
  Li  Li2  1  0.922  0.658  0.272  1.0
  Li  Li3  1  0.078  0.342  0.728  1.0
  Li  Li4  1  0.342  0.728  0.078  1.0
  Li  Li5  1  0.272  0.922  0.658  1.0
  Cu  Cu6  1  0.852  0.852  0.852  1.0
  Cu  Cu7  1  0.656  0.656  0.656  1.0
  Cu  Cu8  1  0.344  0.344  0.344  1.0
  Cu  Cu9  1  0.148  0.148  0.148  1.0
  S  S10  1  0.954  0.250  0.547  1.0
  S  S11  1  0.453  0.046  0.750  1.0
  S  S12  1  0.750  0.453  0.046  1.0
  S  S13  1  0.250  0.547  0.954  1.0
  S  S14  1  0.547  0.954  0.250  1.0
  S  S15  1  0.046  0.750  0.453  1.0
  O  O16  1  0.796  0.449  0.860  1.0
  O  O17  1  0.860  0.796  0.449  1.0
  O  O18  1  0.987  0.195  0.406  1.0
  O  O19  1  0.851  0.143  0.742  1.0
  O  O20  1  0.449  0.860  0.796  1.0
  O  O21  1  0.857  0.258  0.149  1.0
  O  O22  1  0.594  0.013  0.805  1.0
  O  O23  1  0.845  0.457  0.505  1.0
  O  O24  1  0.495  0.155  0.543  1.0
  O  O25  1  0.805  0.594  0.013  1.0
  O  O26  1  0.258  0.149  0.857  1.0
  O  O27  1  0.543  0.495  0.155  1.0
  O  O28  1  0.457  0.505  0.845  1.0
  O  O29  1  0.742  0.851  0.143  1.0
  O  O30  1  0.195  0.406  0.987  1.0
  O  O31  1  0.505  0.845  0.457  1.0
  O  O32  1  0.155  0.543  0.495  1.0
  O  O33  1  0.406  0.987  0.195  1.0
  O  O34  1  0.143  0.742  0.851  1.0
  O  O35  1  0.551  0.140  0.204  1.0
  O  O36  1  0.149  0.857  0.258  1.0
  O  O37  1  0.013  0.805  0.594  1.0
  O  O38  1  0.140  0.204  0.551  1.0
  O  O39  1  0.204  0.551  0.140  1.0
[/CIF]
.