The material described by Li2Ni2(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 corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 58-71°. Ni(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent S(2)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Ni(1)O6 octahedra, 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 four equivalent Ni(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-55°. 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 Ni(1)O6 octahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-35°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), two equivalent Ni(1), and one S(1) atom to form distorted edge-sharing OLiNi2S trigonal pyramids. In the second O site, O(5) is bonded in a distorted linear geometry to one Ni(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Ni(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 Ni(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar 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 Ni(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Li2Ni2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.753
_cell_length_b   7.753
_cell_length_c   8.747
_cell_angle_alpha   68.448
_cell_angle_beta   68.448
_cell_angle_gamma   66.787
_symmetry_Int_Tables_number   1
_cell_volume   433.949
_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  0.673  0.862  0.055  1.0
  Li  Li1  1  0.862  0.673  0.555  1.0
  Li  Li2  1  0.138  0.327  0.445  1.0
  Li  Li3  1  0.327  0.138  0.945  1.0
  Ni  Ni4  1  0.369  0.875  0.482  1.0
  Ni  Ni5  1  0.875  0.369  0.982  1.0
  Ni  Ni6  1  0.125  0.631  0.018  1.0
  Ni  Ni7  1  0.631  0.125  0.518  1.0
  S  S8  1  0.750  0.539  0.323  1.0
  S  S9  1  0.539  0.750  0.823  1.0
  S  S10  1  0.059  0.941  0.250  1.0
  S  S11  1  0.941  0.059  0.750  1.0
  S  S12  1  0.461  0.250  0.177  1.0
  S  S13  1  0.250  0.461  0.677  1.0
  O  O14  1  0.870  0.950  0.385  1.0
  O  O15  1  0.950  0.870  0.885  1.0
  O  O16  1  0.877  0.500  0.429  1.0
  O  O17  1  0.611  0.739  0.311  1.0
  O  O18  1  0.868  0.544  0.138  1.0
  O  O19  1  0.500  0.877  0.929  1.0
  O  O20  1  0.217  0.903  0.323  1.0
  O  O21  1  0.650  0.392  0.383  1.0
  O  O22  1  0.739  0.611  0.811  1.0
  O  O23  1  0.544  0.868  0.638  1.0
  O  O24  1  0.903  0.217  0.823  1.0
  O  O25  1  0.608  0.350  0.117  1.0
  O  O26  1  0.392  0.650  0.883  1.0
  O  O27  1  0.097  0.783  0.177  1.0
  O  O28  1  0.456  0.132  0.362  1.0
  O  O29  1  0.261  0.389  0.189  1.0
  O  O30  1  0.350  0.608  0.617  1.0
  O  O31  1  0.783  0.097  0.677  1.0
  O  O32  1  0.500  0.123  0.071  1.0
  O  O33  1  0.132  0.456  0.862  1.0
  O  O34  1  0.389  0.261  0.689  1.0
  O  O35  1  0.123  0.500  0.571  1.0
  O  O36  1  0.050  0.130  0.115  1.0
  O  O37  1  0.130  0.050  0.615  1.0
[/CIF]
.
The material described by Li2Ni2(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 corners with two equivalent Ni(1)O6 octahedra,  a cornercorner with one S(2)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one S(1)O4 tetrahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 58-71°. Ni(1) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent S(2)O4 tetrahedra, corners with four equivalent S(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids,  an edgeedge with one Ni(1)O6 octahedra, 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 four equivalent Ni(1)O6 octahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-55°. 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 Ni(1)O6 octahedra and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-35°. There are six inequivalent O sites. In the first O site, O(4) is bonded to one Li(1), two equivalent Ni(1), and one S(1) atom to form distorted edge-sharing OLiNi2S trigonal pyramids. In the second O site, O(5) is bonded in a distorted linear geometry to one Ni(1) and one S(2) atom. In the third O site, O(6) is bonded in a bent 150 degrees geometry to one Ni(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 Ni(1), and one S(2) atom. In the fifth O site, O(2) is bonded in a distorted trigonal planar 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 Ni(1), and one S(1) atom. is represented by the CIF card [CIF]
data_Li2Ni2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.753
_cell_length_b   7.753
_cell_length_c   8.747
_cell_angle_alpha   68.448
_cell_angle_beta   68.448
_cell_angle_gamma   66.787
_symmetry_Int_Tables_number   1
_cell_volume   433.949
_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  0.673  0.862  0.055  1.0
  Li  Li1  1  0.862  0.673  0.555  1.0
  Li  Li2  1  0.138  0.327  0.445  1.0
  Li  Li3  1  0.327  0.138  0.945  1.0
  Ni  Ni4  1  0.369  0.875  0.482  1.0
  Ni  Ni5  1  0.875  0.369  0.982  1.0
  Ni  Ni6  1  0.125  0.631  0.018  1.0
  Ni  Ni7  1  0.631  0.125  0.518  1.0
  S  S8  1  0.750  0.539  0.323  1.0
  S  S9  1  0.539  0.750  0.823  1.0
  S  S10  1  0.059  0.941  0.250  1.0
  S  S11  1  0.941  0.059  0.750  1.0
  S  S12  1  0.461  0.250  0.177  1.0
  S  S13  1  0.250  0.461  0.677  1.0
  O  O14  1  0.870  0.950  0.385  1.0
  O  O15  1  0.950  0.870  0.885  1.0
  O  O16  1  0.877  0.500  0.429  1.0
  O  O17  1  0.611  0.739  0.311  1.0
  O  O18  1  0.868  0.544  0.138  1.0
  O  O19  1  0.500  0.877  0.929  1.0
  O  O20  1  0.217  0.903  0.323  1.0
  O  O21  1  0.650  0.392  0.383  1.0
  O  O22  1  0.739  0.611  0.811  1.0
  O  O23  1  0.544  0.868  0.638  1.0
  O  O24  1  0.903  0.217  0.823  1.0
  O  O25  1  0.608  0.350  0.117  1.0
  O  O26  1  0.392  0.650  0.883  1.0
  O  O27  1  0.097  0.783  0.177  1.0
  O  O28  1  0.456  0.132  0.362  1.0
  O  O29  1  0.261  0.389  0.189  1.0
  O  O30  1  0.350  0.608  0.617  1.0
  O  O31  1  0.783  0.097  0.677  1.0
  O  O32  1  0.500  0.123  0.071  1.0
  O  O33  1  0.132  0.456  0.862  1.0
  O  O34  1  0.389  0.261  0.689  1.0
  O  O35  1  0.123  0.500  0.571  1.0
  O  O36  1  0.050  0.130  0.115  1.0
  O  O37  1  0.130  0.050  0.615  1.0
[/CIF]
.