The crystal structure described by Li2V3SbO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 Sb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with nine equivalent O(2)LiV2Sb trigonal pyramids, and edges with three equivalent O(2)LiV2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with nine equivalent O(2)LiV2Sb trigonal pyramids,  an edgeedge with one O(1)LiV3 trigonal pyramid, and edges with two equivalent O(2)LiV2Sb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   6.039
_cell_length_c   6.149
_cell_angle_alpha   119.384
_cell_angle_beta   90.040
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   160.043
_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  0.131  0.262  0.393  1.0
  Li  Li1  1  0.869  0.738  0.607  1.0
  O  O2  1  0.266  0.532  0.797  1.0
  O  O3  1  0.734  0.468  0.203  1.0
  O  O4  1  0.718  0.983  0.248  1.0
  O  O5  1  0.265  0.530  0.248  1.0
  O  O6  1  0.265  0.983  0.248  1.0
  O  O7  1  0.735  0.017  0.752  1.0
  O  O8  1  0.735  0.470  0.752  1.0
  O  O9  1  0.282  0.017  0.752  1.0
  Sb  Sb10  1  0.500  1.000  0.500  1.0
  V  V11  1  0.500  0.500  1.000  1.0
  V  V12  1  0.500  1.000  1.000  1.0
  V  V13  1  0.000  0.500  1.000  1.0
[/CIF]
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The crystal structure described by Li2V3SbO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Sb(1)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 Sb(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form distorted OLiV3 trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with nine equivalent O(2)LiV2Sb trigonal pyramids, and edges with three equivalent O(2)LiV2Sb trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), two equivalent V(1), and one Sb(1) atom to form distorted OLiV2Sb trigonal pyramids that share corners with three equivalent O(1)LiV3 trigonal pyramids, corners with nine equivalent O(2)LiV2Sb trigonal pyramids,  an edgeedge with one O(1)LiV3 trigonal pyramid, and edges with two equivalent O(2)LiV2Sb trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.039
_cell_length_b   6.039
_cell_length_c   6.149
_cell_angle_alpha   119.384
_cell_angle_beta   90.040
_cell_angle_gamma   119.977
_symmetry_Int_Tables_number   1
_cell_volume   160.043
_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  0.131  0.262  0.393  1.0
  Li  Li1  1  0.869  0.738  0.607  1.0
  O  O2  1  0.266  0.532  0.797  1.0
  O  O3  1  0.734  0.468  0.203  1.0
  O  O4  1  0.718  0.983  0.248  1.0
  O  O5  1  0.265  0.530  0.248  1.0
  O  O6  1  0.265  0.983  0.248  1.0
  O  O7  1  0.735  0.017  0.752  1.0
  O  O8  1  0.735  0.470  0.752  1.0
  O  O9  1  0.282  0.017  0.752  1.0
  Sb  Sb10  1  0.500  1.000  0.500  1.0
  V  V11  1  0.500  0.500  1.000  1.0
  V  V12  1  0.500  1.000  1.000  1.0
  V  V13  1  0.000  0.500  1.000  1.0
[/CIF]
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