The compound described by Li2V3SnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(2), and one Sn(1) atom to form distorted corner-sharing OLiV2Sn trigonal pyramids. is represented by the CIF card [CIF]
data_Li2V3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.005
_cell_length_c   6.140
_cell_angle_alpha   118.590
_cell_angle_beta   118.574
_cell_angle_gamma   60.331
_symmetry_Int_Tables_number   1
_cell_volume   160.201
_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  0.877  0.876  0.636  1.0
  Li  Li1  1  0.123  0.124  0.364  1.0
  O  O2  1  0.724  0.724  0.199  1.0
  O  O3  1  0.276  0.276  0.801  1.0
  O  O4  1  0.281  0.734  0.767  1.0
  O  O5  1  0.734  0.281  0.767  1.0
  O  O6  1  0.741  0.742  0.769  1.0
  O  O7  1  0.259  0.258  0.231  1.0
  O  O8  1  0.266  0.719  0.233  1.0
  O  O9  1  0.719  0.266  0.234  1.0
  Sn  Sn10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.500  0.500  1.000  1.0
  V  V12  1  0.500  1.000  0.000  1.0
  V  V13  1  1.000  0.500  0.000  1.0
[/CIF]
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The compound described by Li2V3SnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Sn(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(2), and one Sn(1) atom to form distorted corner-sharing OLiV2Sn trigonal pyramids. is represented by the CIF card [CIF]
data_Li2V3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.004
_cell_length_b   6.005
_cell_length_c   6.140
_cell_angle_alpha   118.590
_cell_angle_beta   118.574
_cell_angle_gamma   60.331
_symmetry_Int_Tables_number   1
_cell_volume   160.201
_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  0.877  0.876  0.636  1.0
  Li  Li1  1  0.123  0.124  0.364  1.0
  O  O2  1  0.724  0.724  0.199  1.0
  O  O3  1  0.276  0.276  0.801  1.0
  O  O4  1  0.281  0.734  0.767  1.0
  O  O5  1  0.734  0.281  0.767  1.0
  O  O6  1  0.741  0.742  0.769  1.0
  O  O7  1  0.259  0.258  0.231  1.0
  O  O8  1  0.266  0.719  0.233  1.0
  O  O9  1  0.719  0.266  0.234  1.0
  Sn  Sn10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.500  0.500  1.000  1.0
  V  V12  1  0.500  1.000  0.000  1.0
  V  V13  1  1.000  0.500  0.000  1.0
[/CIF]
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