The material described by Li2V2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-35°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one S(2) atom. In the second O site, O(6) is bonded to one Li(1), two equivalent V(1), and one S(2) atom to form distorted edge-sharing OLiV2S trigonal pyramids. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one V(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one S(2) atom. is represented by the CIF file [CIF]
data_Li2V2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.013
_cell_length_b   8.013
_cell_length_c   8.854
_cell_angle_alpha   68.346
_cell_angle_beta   68.346
_cell_angle_gamma   66.687
_symmetry_Int_Tables_number   1
_cell_volume   468.401
_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  0.130  0.325  0.452  1.0
  Li  Li1  1  0.325  0.130  0.952  1.0
  Li  Li2  1  0.675  0.870  0.048  1.0
  Li  Li3  1  0.870  0.675  0.548  1.0
  V  V4  1  0.628  0.128  0.516  1.0
  V  V5  1  0.128  0.628  0.016  1.0
  V  V6  1  0.372  0.872  0.484  1.0
  V  V7  1  0.872  0.372  0.984  1.0
  S  S8  1  0.063  0.937  0.250  1.0
  S  S9  1  0.248  0.457  0.680  1.0
  S  S10  1  0.752  0.543  0.320  1.0
  S  S11  1  0.457  0.248  0.180  1.0
  S  S12  1  0.543  0.752  0.820  1.0
  S  S13  1  0.937  0.063  0.750  1.0
  O  O14  1  0.122  0.053  0.617  1.0
  O  O15  1  0.505  0.877  0.924  1.0
  O  O16  1  0.786  0.102  0.675  1.0
  O  O17  1  0.654  0.402  0.381  1.0
  O  O18  1  0.877  0.505  0.424  1.0
  O  O19  1  0.619  0.738  0.308  1.0
  O  O20  1  0.102  0.786  0.175  1.0
  O  O21  1  0.545  0.867  0.638  1.0
  O  O22  1  0.495  0.123  0.076  1.0
  O  O23  1  0.262  0.381  0.192  1.0
  O  O24  1  0.878  0.947  0.383  1.0
  O  O25  1  0.867  0.545  0.138  1.0
  O  O26  1  0.123  0.495  0.576  1.0
  O  O27  1  0.214  0.898  0.325  1.0
  O  O28  1  0.455  0.133  0.362  1.0
  O  O29  1  0.346  0.598  0.619  1.0
  O  O30  1  0.738  0.619  0.808  1.0
  O  O31  1  0.598  0.346  0.119  1.0
  O  O32  1  0.133  0.455  0.862  1.0
  O  O33  1  0.381  0.262  0.692  1.0
  O  O34  1  0.898  0.214  0.825  1.0
  O  O35  1  0.947  0.878  0.883  1.0
  O  O36  1  0.053  0.122  0.117  1.0
  O  O37  1  0.402  0.654  0.881  1.0
[/CIF]
.
The material described by Li2V2(SO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(5), one O(6), and two equivalent O(2) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent S(1)O4 tetrahedra, corners with four equivalent S(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form SO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-35°. In the second S site, S(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form SO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-55°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one S(2) atom. In the second O site, O(6) is bonded to one Li(1), two equivalent V(1), and one S(2) atom to form distorted edge-sharing OLiV2S trigonal pyramids. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one S(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one S(2) atom. In the fifth O site, O(3) is bonded in a distorted linear geometry to one V(1) and one S(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one S(2) atom. is represented by the CIF file [CIF]
data_Li2V2(SO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.013
_cell_length_b   8.013
_cell_length_c   8.854
_cell_angle_alpha   68.346
_cell_angle_beta   68.346
_cell_angle_gamma   66.687
_symmetry_Int_Tables_number   1
_cell_volume   468.401
_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  0.130  0.325  0.452  1.0
  Li  Li1  1  0.325  0.130  0.952  1.0
  Li  Li2  1  0.675  0.870  0.048  1.0
  Li  Li3  1  0.870  0.675  0.548  1.0
  V  V4  1  0.628  0.128  0.516  1.0
  V  V5  1  0.128  0.628  0.016  1.0
  V  V6  1  0.372  0.872  0.484  1.0
  V  V7  1  0.872  0.372  0.984  1.0
  S  S8  1  0.063  0.937  0.250  1.0
  S  S9  1  0.248  0.457  0.680  1.0
  S  S10  1  0.752  0.543  0.320  1.0
  S  S11  1  0.457  0.248  0.180  1.0
  S  S12  1  0.543  0.752  0.820  1.0
  S  S13  1  0.937  0.063  0.750  1.0
  O  O14  1  0.122  0.053  0.617  1.0
  O  O15  1  0.505  0.877  0.924  1.0
  O  O16  1  0.786  0.102  0.675  1.0
  O  O17  1  0.654  0.402  0.381  1.0
  O  O18  1  0.877  0.505  0.424  1.0
  O  O19  1  0.619  0.738  0.308  1.0
  O  O20  1  0.102  0.786  0.175  1.0
  O  O21  1  0.545  0.867  0.638  1.0
  O  O22  1  0.495  0.123  0.076  1.0
  O  O23  1  0.262  0.381  0.192  1.0
  O  O24  1  0.878  0.947  0.383  1.0
  O  O25  1  0.867  0.545  0.138  1.0
  O  O26  1  0.123  0.495  0.576  1.0
  O  O27  1  0.214  0.898  0.325  1.0
  O  O28  1  0.455  0.133  0.362  1.0
  O  O29  1  0.346  0.598  0.619  1.0
  O  O30  1  0.738  0.619  0.808  1.0
  O  O31  1  0.598  0.346  0.119  1.0
  O  O32  1  0.133  0.455  0.862  1.0
  O  O33  1  0.381  0.262  0.692  1.0
  O  O34  1  0.898  0.214  0.825  1.0
  O  O35  1  0.947  0.878  0.883  1.0
  O  O36  1  0.053  0.122  0.117  1.0
  O  O37  1  0.402  0.654  0.881  1.0
[/CIF]
.