The compound described by Li4V5SnO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form VO6 octahedra that share edges with three equivalent V(2)O6 octahedra and edges with three equivalent Sn(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. Sn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with six equivalent V(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent V(2), and one Sn(1) atom to form distorted OLi2V2Sn trigonal bipyramids that share corners with two equivalent O(2)Li2V3 trigonal bipyramids, corners with three equivalent O(1)Li2V2Sn trigonal bipyramids,  an edgeedge with one O(2)Li2V3 trigonal bipyramid, and edges with four equivalent O(1)Li2V2Sn trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(3), and two equivalent V(1) atoms to form OLi2V3 trigonal bipyramids that share corners with two equivalent O(1)Li2V2Sn trigonal bipyramids, corners with three equivalent O(2)Li2V3 trigonal bipyramids,  an edgeedge with one O(1)Li2V2Sn trigonal bipyramid, and edges with four equivalent O(2)Li2V3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Li4V5SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.237
_cell_length_c   10.286
_cell_angle_alpha   89.757
_cell_angle_beta   89.757
_cell_angle_gamma   119.480
_symmetry_Int_Tables_number   1
_cell_volume   245.618
_cell_formula_units_Z   1
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  0.364  0.846  0.747  1.0
  Li  Li1  1  0.154  0.636  0.253  1.0
  Li  Li2  1  0.846  0.364  0.747  1.0
  Li  Li3  1  0.636  0.154  0.253  1.0
  V  V4  1  0.157  0.843  0.500  1.0
  V  V5  1  0.336  0.664  0.000  1.0
  V  V6  1  0.664  0.336  0.000  1.0
  V  V7  1  0.843  0.157  0.500  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  Sn  Sn9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.335  0.984  0.110  1.0
  O  O11  1  0.016  0.665  0.890  1.0
  O  O12  1  0.495  0.843  0.396  1.0
  O  O13  1  0.157  0.505  0.604  1.0
  O  O14  1  0.825  0.825  0.601  1.0
  O  O15  1  0.662  0.662  0.101  1.0
  O  O16  1  0.338  0.338  0.899  1.0
  O  O17  1  0.175  0.175  0.399  1.0
  O  O18  1  0.843  0.495  0.396  1.0
  O  O19  1  0.505  0.157  0.604  1.0
  O  O20  1  0.984  0.335  0.110  1.0
  O  O21  1  0.665  0.016  0.890  1.0
[/CIF]
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The compound described by Li4V5SnO12 crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. In the second V site, V(2) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form VO6 octahedra that share edges with three equivalent V(2)O6 octahedra and edges with three equivalent Sn(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form edge-sharing VO6 octahedra. Sn(1) is bonded to two equivalent O(4) and four equivalent O(1) atoms to form SnO6 octahedra that share edges with six equivalent V(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent V(2), and one Sn(1) atom to form distorted OLi2V2Sn trigonal bipyramids that share corners with two equivalent O(2)Li2V3 trigonal bipyramids, corners with three equivalent O(1)Li2V2Sn trigonal bipyramids,  an edgeedge with one O(2)Li2V3 trigonal bipyramid, and edges with four equivalent O(1)Li2V2Sn trigonal bipyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(3), and two equivalent V(1) atoms to form OLi2V3 trigonal bipyramids that share corners with two equivalent O(1)Li2V2Sn trigonal bipyramids, corners with three equivalent O(2)Li2V3 trigonal bipyramids,  an edgeedge with one O(1)Li2V2Sn trigonal bipyramid, and edges with four equivalent O(2)Li2V3 trigonal bipyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Sn(1) atom. is represented by the CIF file [CIF]
data_Li4V5SnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.237
_cell_length_c   10.286
_cell_angle_alpha   89.757
_cell_angle_beta   89.757
_cell_angle_gamma   119.480
_symmetry_Int_Tables_number   1
_cell_volume   245.618
_cell_formula_units_Z   1
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  0.364  0.846  0.747  1.0
  Li  Li1  1  0.154  0.636  0.253  1.0
  Li  Li2  1  0.846  0.364  0.747  1.0
  Li  Li3  1  0.636  0.154  0.253  1.0
  V  V4  1  0.157  0.843  0.500  1.0
  V  V5  1  0.336  0.664  0.000  1.0
  V  V6  1  0.664  0.336  0.000  1.0
  V  V7  1  0.843  0.157  0.500  1.0
  V  V8  1  0.500  0.500  0.500  1.0
  Sn  Sn9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.335  0.984  0.110  1.0
  O  O11  1  0.016  0.665  0.890  1.0
  O  O12  1  0.495  0.843  0.396  1.0
  O  O13  1  0.157  0.505  0.604  1.0
  O  O14  1  0.825  0.825  0.601  1.0
  O  O15  1  0.662  0.662  0.101  1.0
  O  O16  1  0.338  0.338  0.899  1.0
  O  O17  1  0.175  0.175  0.399  1.0
  O  O18  1  0.843  0.495  0.396  1.0
  O  O19  1  0.505  0.157  0.604  1.0
  O  O20  1  0.984  0.335  0.110  1.0
  O  O21  1  0.665  0.016  0.890  1.0
[/CIF]
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