The material structure described by LiVSiO4 crystallizes in the triclinic P1 space group. Li(1,2) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with three equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O4 tetrahedra and corners with three equivalent V(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one Si(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. is represented by the CIF file [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.213
_cell_length_c   9.606
_cell_angle_alpha   89.983
_cell_angle_beta   89.976
_cell_angle_gamma   60.036
_symmetry_Int_Tables_number   1
_cell_volume   226.111
_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  0.000  0.000  0.231  1.0
  Li  Li1  1  1.000  0.000  0.731  1.0
  O  O2  1  0.335  0.333  0.929  1.0
  O  O3  1  0.667  0.666  0.429  1.0
  O  O4  1  0.029  0.344  0.703  1.0
  O  O5  1  0.343  0.627  0.703  1.0
  O  O6  1  0.374  0.970  0.202  1.0
  O  O7  1  0.626  0.030  0.702  1.0
  O  O8  1  0.656  0.373  0.203  1.0
  O  O9  1  0.970  0.656  0.202  1.0
  Si  Si10  1  0.333  0.334  0.760  1.0
  Si  Si11  1  0.667  0.667  0.260  1.0
  V  V12  1  0.334  0.333  0.123  1.0
  V  V13  1  0.666  0.667  0.623  1.0
[/CIF]
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The material structure described by LiVSiO4 crystallizes in the triclinic P1 space group. Li(1,2) is bonded in a trigonal planar geometry to one O(5), one O(7), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra and corners with three equivalent Si(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra and corners with three equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(2), one O(5), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O4 tetrahedra and corners with three equivalent V(1)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one Si(1) atom. In the second O site, O(2) is bonded in a linear geometry to one V(2) and one Si(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1,2); one V(2); and one Si(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1,2); one V(1); and one Si(2) atom. is represented by the CIF file [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.212
_cell_length_b   5.213
_cell_length_c   9.606
_cell_angle_alpha   89.983
_cell_angle_beta   89.976
_cell_angle_gamma   60.036
_symmetry_Int_Tables_number   1
_cell_volume   226.111
_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  0.000  0.000  0.231  1.0
  Li  Li1  1  1.000  0.000  0.731  1.0
  O  O2  1  0.335  0.333  0.929  1.0
  O  O3  1  0.667  0.666  0.429  1.0
  O  O4  1  0.029  0.344  0.703  1.0
  O  O5  1  0.343  0.627  0.703  1.0
  O  O6  1  0.374  0.970  0.202  1.0
  O  O7  1  0.626  0.030  0.702  1.0
  O  O8  1  0.656  0.373  0.203  1.0
  O  O9  1  0.970  0.656  0.202  1.0
  Si  Si10  1  0.333  0.334  0.760  1.0
  Si  Si11  1  0.667  0.667  0.260  1.0
  V  V12  1  0.334  0.333  0.123  1.0
  V  V13  1  0.666  0.667  0.623  1.0
[/CIF]
.