The structure described by LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic C222_1 space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(4) 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 51-55°. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(3) 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 51-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Si(2) 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. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   8.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.188
_symmetry_Int_Tables_number   1
_cell_volume   269.314
_cell_formula_units_Z   4
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  0.287  0.500  0.625  1.0
  Li  Li1  1  0.500  0.713  0.375  1.0
  Li  Li2  1  0.500  0.287  0.875  1.0
  Li  Li3  1  0.713  0.500  0.125  1.0
  V  V4  1  1.000  0.726  0.375  1.0
  V  V5  1  0.000  0.274  0.875  1.0
  V  V6  1  0.274  0.000  0.625  1.0
  V  V7  1  0.726  1.000  0.125  1.0
  Si  Si8  1  0.243  0.757  0.000  1.0
  Si  Si9  1  0.243  0.243  0.250  1.0
  Si  Si10  1  0.757  0.757  0.750  1.0
  Si  Si11  1  0.757  0.243  0.500  1.0
  O  O12  1  0.994  0.763  0.625  1.0
  O  O13  1  0.993  0.239  0.625  1.0
  O  O14  1  0.237  0.006  0.375  1.0
  O  O15  1  0.239  0.993  0.875  1.0
  O  O16  1  0.240  0.477  0.365  1.0
  O  O17  1  0.239  0.522  0.885  1.0
  O  O18  1  0.523  0.760  0.635  1.0
  O  O19  1  0.522  0.239  0.615  1.0
  O  O20  1  0.478  0.760  0.115  1.0
  O  O21  1  0.477  0.240  0.135  1.0
  O  O22  1  0.760  0.523  0.865  1.0
  O  O23  1  0.760  0.478  0.385  1.0
  O  O24  1  0.763  0.994  0.875  1.0
  O  O25  1  0.761  0.007  0.375  1.0
  O  O26  1  0.007  0.761  0.125  1.0
  O  O27  1  0.006  0.237  0.125  1.0
[/CIF]
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The structure described by LiVSiO4 is Spinel-derived structured and crystallizes in the orthorhombic C222_1 space group. Li(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(2) and two equivalent O(4) 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 51-55°. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(3) 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 51-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Si(2) 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. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one V(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.796
_cell_length_b   5.796
_cell_length_c   8.018
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.188
_symmetry_Int_Tables_number   1
_cell_volume   269.314
_cell_formula_units_Z   4
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  0.287  0.500  0.625  1.0
  Li  Li1  1  0.500  0.713  0.375  1.0
  Li  Li2  1  0.500  0.287  0.875  1.0
  Li  Li3  1  0.713  0.500  0.125  1.0
  V  V4  1  1.000  0.726  0.375  1.0
  V  V5  1  0.000  0.274  0.875  1.0
  V  V6  1  0.274  0.000  0.625  1.0
  V  V7  1  0.726  1.000  0.125  1.0
  Si  Si8  1  0.243  0.757  0.000  1.0
  Si  Si9  1  0.243  0.243  0.250  1.0
  Si  Si10  1  0.757  0.757  0.750  1.0
  Si  Si11  1  0.757  0.243  0.500  1.0
  O  O12  1  0.994  0.763  0.625  1.0
  O  O13  1  0.993  0.239  0.625  1.0
  O  O14  1  0.237  0.006  0.375  1.0
  O  O15  1  0.239  0.993  0.875  1.0
  O  O16  1  0.240  0.477  0.365  1.0
  O  O17  1  0.239  0.522  0.885  1.0
  O  O18  1  0.523  0.760  0.635  1.0
  O  O19  1  0.522  0.239  0.615  1.0
  O  O20  1  0.478  0.760  0.115  1.0
  O  O21  1  0.477  0.240  0.135  1.0
  O  O22  1  0.760  0.523  0.865  1.0
  O  O23  1  0.760  0.478  0.385  1.0
  O  O24  1  0.763  0.994  0.875  1.0
  O  O25  1  0.761  0.007  0.375  1.0
  O  O26  1  0.007  0.761  0.125  1.0
  O  O27  1  0.006  0.237  0.125  1.0
[/CIF]
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