The material structure described by LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.700
_cell_length_c   5.700
_cell_angle_alpha   62.193
_cell_angle_beta   60.198
_cell_angle_gamma   60.201
_symmetry_Int_Tables_number   1
_cell_volume   132.604
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.749  0.268  0.734  1.0
  O  O3  1  0.251  0.266  0.732  1.0
  O  O4  1  0.749  0.734  0.268  1.0
  O  O5  1  0.251  0.732  0.266  1.0
  O  O6  1  0.252  0.258  0.258  1.0
  O  O7  1  0.733  0.258  0.258  1.0
  O  O8  1  0.748  0.742  0.742  1.0
  O  O9  1  0.267  0.742  0.742  1.0
  Si  Si10  1  0.368  0.383  0.383  1.0
  Si  Si11  1  0.632  0.617  0.617  1.0
  V  V12  1  1.000  1.000  0.500  1.0
  V  V13  1  0.000  0.500  1.000  1.0
[/CIF]
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The material structure described by LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.700
_cell_length_c   5.700
_cell_angle_alpha   62.193
_cell_angle_beta   60.198
_cell_angle_gamma   60.201
_symmetry_Int_Tables_number   1
_cell_volume   132.604
_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  1.000  0.000  1.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  O  O2  1  0.749  0.268  0.734  1.0
  O  O3  1  0.251  0.266  0.732  1.0
  O  O4  1  0.749  0.734  0.268  1.0
  O  O5  1  0.251  0.732  0.266  1.0
  O  O6  1  0.252  0.258  0.258  1.0
  O  O7  1  0.733  0.258  0.258  1.0
  O  O8  1  0.748  0.742  0.742  1.0
  O  O9  1  0.267  0.742  0.742  1.0
  Si  Si10  1  0.368  0.383  0.383  1.0
  Si  Si11  1  0.632  0.617  0.617  1.0
  V  V12  1  1.000  1.000  0.500  1.0
  V  V13  1  0.000  0.500  1.000  1.0
[/CIF]
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