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(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Si tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.849
_cell_length_c   5.849
_cell_angle_alpha   60.646
_cell_angle_beta   61.878
_cell_angle_gamma   61.878
_symmetry_Int_Tables_number   1
_cell_volume   137.734
_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  0.995  0.005  0.005  1.0
  Li  Li1  1  0.755  0.745  0.745  1.0
  O  O2  1  0.172  0.588  0.588  1.0
  O  O3  1  0.652  0.588  0.588  1.0
  O  O4  1  0.578  0.162  0.162  1.0
  O  O5  1  0.098  0.162  0.162  1.0
  O  O6  1  0.622  0.585  0.171  1.0
  O  O7  1  0.128  0.579  0.165  1.0
  O  O8  1  0.128  0.165  0.579  1.0
  O  O9  1  0.622  0.171  0.585  1.0
  Si  Si10  1  0.375  0.375  0.375  1.0
  Si  Si11  1  0.875  0.375  0.375  1.0
  V  V12  1  0.375  0.875  0.375  1.0
  V  V13  1  0.375  0.375  0.875  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(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-68°. V(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent V(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiV2Si tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one V(1), and two equivalent Si(1) atoms. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.514
_cell_length_b   5.849
_cell_length_c   5.849
_cell_angle_alpha   60.646
_cell_angle_beta   61.878
_cell_angle_gamma   61.878
_symmetry_Int_Tables_number   1
_cell_volume   137.734
_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  0.995  0.005  0.005  1.0
  Li  Li1  1  0.755  0.745  0.745  1.0
  O  O2  1  0.172  0.588  0.588  1.0
  O  O3  1  0.652  0.588  0.588  1.0
  O  O4  1  0.578  0.162  0.162  1.0
  O  O5  1  0.098  0.162  0.162  1.0
  O  O6  1  0.622  0.585  0.171  1.0
  O  O7  1  0.128  0.579  0.165  1.0
  O  O8  1  0.128  0.165  0.579  1.0
  O  O9  1  0.622  0.171  0.585  1.0
  Si  Si10  1  0.375  0.375  0.375  1.0
  Si  Si11  1  0.875  0.375  0.375  1.0
  V  V12  1  0.375  0.875  0.375  1.0
  V  V13  1  0.375  0.375  0.875  1.0
[/CIF]
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