The material described by Li2Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids that share corners with two equivalent S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids and corners with two equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Li2Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.912
_cell_length_c   9.244
_cell_angle_alpha   64.977
_cell_angle_beta   64.977
_cell_angle_gamma   63.953
_symmetry_Int_Tables_number   1
_cell_volume   450.615
_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  0.675  0.860  0.050  1.0
  Li  Li1  1  0.860  0.675  0.550  1.0
  Li  Li2  1  0.140  0.325  0.450  1.0
  Li  Li3  1  0.325  0.140  0.950  1.0
  Cu  Cu4  1  0.363  0.869  0.477  1.0
  Cu  Cu5  1  0.869  0.363  0.977  1.0
  Cu  Cu6  1  0.131  0.637  0.023  1.0
  Cu  Cu7  1  0.637  0.131  0.523  1.0
  S  S8  1  0.752  0.543  0.327  1.0
  S  S9  1  0.543  0.752  0.827  1.0
  S  S10  1  0.048  0.952  0.250  1.0
  S  S11  1  0.952  0.048  0.750  1.0
  S  S12  1  0.457  0.248  0.173  1.0
  S  S13  1  0.248  0.457  0.673  1.0
  O  O14  1  0.854  0.961  0.386  1.0
  O  O15  1  0.961  0.854  0.886  1.0
  O  O16  1  0.869  0.495  0.435  1.0
  O  O17  1  0.605  0.746  0.316  1.0
  O  O18  1  0.875  0.560  0.147  1.0
  O  O19  1  0.495  0.869  0.935  1.0
  O  O20  1  0.204  0.915  0.315  1.0
  O  O21  1  0.654  0.398  0.379  1.0
  O  O22  1  0.746  0.605  0.816  1.0
  O  O23  1  0.560  0.875  0.647  1.0
  O  O24  1  0.915  0.204  0.815  1.0
  O  O25  1  0.602  0.346  0.121  1.0
  O  O26  1  0.398  0.654  0.879  1.0
  O  O27  1  0.085  0.796  0.185  1.0
  O  O28  1  0.440  0.125  0.353  1.0
  O  O29  1  0.254  0.395  0.184  1.0
  O  O30  1  0.346  0.602  0.621  1.0
  O  O31  1  0.796  0.085  0.685  1.0
  O  O32  1  0.505  0.131  0.065  1.0
  O  O33  1  0.125  0.440  0.853  1.0
  O  O34  1  0.395  0.254  0.684  1.0
  O  O35  1  0.131  0.505  0.565  1.0
  O  O36  1  0.039  0.146  0.114  1.0
  O  O37  1  0.146  0.039  0.614  1.0
[/CIF]
.
The material described by Li2Cu2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Cu(1)O5 square pyramid,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Cu(1)O5 square pyramid,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids that share corners with two equivalent S(2)O4 tetrahedra, corners with three equivalent S(1)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. 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 square pyramids and corners with two equivalent Li(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one S(1) atom. In the second O site, O(5) is bonded in a distorted linear geometry to one Cu(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Cu(1) and one S(1) atom. In the fourth O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one S(1) atom. In the sixth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Li2Cu2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.912
_cell_length_b   7.912
_cell_length_c   9.244
_cell_angle_alpha   64.977
_cell_angle_beta   64.977
_cell_angle_gamma   63.953
_symmetry_Int_Tables_number   1
_cell_volume   450.615
_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  0.675  0.860  0.050  1.0
  Li  Li1  1  0.860  0.675  0.550  1.0
  Li  Li2  1  0.140  0.325  0.450  1.0
  Li  Li3  1  0.325  0.140  0.950  1.0
  Cu  Cu4  1  0.363  0.869  0.477  1.0
  Cu  Cu5  1  0.869  0.363  0.977  1.0
  Cu  Cu6  1  0.131  0.637  0.023  1.0
  Cu  Cu7  1  0.637  0.131  0.523  1.0
  S  S8  1  0.752  0.543  0.327  1.0
  S  S9  1  0.543  0.752  0.827  1.0
  S  S10  1  0.048  0.952  0.250  1.0
  S  S11  1  0.952  0.048  0.750  1.0
  S  S12  1  0.457  0.248  0.173  1.0
  S  S13  1  0.248  0.457  0.673  1.0
  O  O14  1  0.854  0.961  0.386  1.0
  O  O15  1  0.961  0.854  0.886  1.0
  O  O16  1  0.869  0.495  0.435  1.0
  O  O17  1  0.605  0.746  0.316  1.0
  O  O18  1  0.875  0.560  0.147  1.0
  O  O19  1  0.495  0.869  0.935  1.0
  O  O20  1  0.204  0.915  0.315  1.0
  O  O21  1  0.654  0.398  0.379  1.0
  O  O22  1  0.746  0.605  0.816  1.0
  O  O23  1  0.560  0.875  0.647  1.0
  O  O24  1  0.915  0.204  0.815  1.0
  O  O25  1  0.602  0.346  0.121  1.0
  O  O26  1  0.398  0.654  0.879  1.0
  O  O27  1  0.085  0.796  0.185  1.0
  O  O28  1  0.440  0.125  0.353  1.0
  O  O29  1  0.254  0.395  0.184  1.0
  O  O30  1  0.346  0.602  0.621  1.0
  O  O31  1  0.796  0.085  0.685  1.0
  O  O32  1  0.505  0.131  0.065  1.0
  O  O33  1  0.125  0.440  0.853  1.0
  O  O34  1  0.395  0.254  0.684  1.0
  O  O35  1  0.131  0.505  0.565  1.0
  O  O36  1  0.039  0.146  0.114  1.0
  O  O37  1  0.146  0.039  0.614  1.0
[/CIF]
.