The material structure described by LiVSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), 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(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one Si(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with four equivalent V(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(2), one V(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   6.561
_cell_length_c   9.523
_cell_angle_alpha   75.751
_cell_angle_beta   86.305
_cell_angle_gamma   79.147
_symmetry_Int_Tables_number   1
_cell_volume   350.613
_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  0.585  0.842  0.742  1.0
  Li  Li1  1  0.441  0.664  0.328  1.0
  Li  Li2  1  0.559  0.336  0.672  1.0
  Li  Li3  1  0.415  0.158  0.258  1.0
  V  V4  1  0.989  0.930  0.292  1.0
  V  V5  1  0.811  0.643  0.074  1.0
  V  V6  1  0.189  0.357  0.926  1.0
  V  V7  1  0.011  0.070  0.708  1.0
  Si  Si8  1  0.149  0.711  0.618  1.0
  Si  Si9  1  0.283  0.825  0.001  1.0
  Si  Si10  1  0.717  0.175  0.999  1.0
  Si  Si11  1  0.851  0.289  0.382  1.0
  O  O12  1  0.547  0.732  0.952  1.0
  O  O13  1  0.301  0.884  0.647  1.0
  O  O14  1  0.894  0.823  0.674  1.0
  O  O15  1  0.809  0.942  0.113  1.0
  O  O16  1  0.115  0.655  0.981  1.0
  O  O17  1  0.160  0.703  0.447  1.0
  O  O18  1  0.277  0.839  0.169  1.0
  O  O19  1  0.759  0.534  0.283  1.0
  O  O20  1  0.241  0.466  0.717  1.0
  O  O21  1  0.723  0.161  0.831  1.0
  O  O22  1  0.840  0.297  0.553  1.0
  O  O23  1  0.885  0.345  0.019  1.0
  O  O24  1  0.191  0.058  0.887  1.0
  O  O25  1  0.106  0.177  0.326  1.0
  O  O26  1  0.699  0.116  0.353  1.0
  O  O27  1  0.453  0.268  0.048  1.0
[/CIF]
.
The material structure described by LiVSiO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(6), 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(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one Si(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the second Si site, Si(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and corners with four equivalent V(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Si(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Si(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(2), one V(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.896
_cell_length_b   6.561
_cell_length_c   9.523
_cell_angle_alpha   75.751
_cell_angle_beta   86.305
_cell_angle_gamma   79.147
_symmetry_Int_Tables_number   1
_cell_volume   350.613
_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  0.585  0.842  0.742  1.0
  Li  Li1  1  0.441  0.664  0.328  1.0
  Li  Li2  1  0.559  0.336  0.672  1.0
  Li  Li3  1  0.415  0.158  0.258  1.0
  V  V4  1  0.989  0.930  0.292  1.0
  V  V5  1  0.811  0.643  0.074  1.0
  V  V6  1  0.189  0.357  0.926  1.0
  V  V7  1  0.011  0.070  0.708  1.0
  Si  Si8  1  0.149  0.711  0.618  1.0
  Si  Si9  1  0.283  0.825  0.001  1.0
  Si  Si10  1  0.717  0.175  0.999  1.0
  Si  Si11  1  0.851  0.289  0.382  1.0
  O  O12  1  0.547  0.732  0.952  1.0
  O  O13  1  0.301  0.884  0.647  1.0
  O  O14  1  0.894  0.823  0.674  1.0
  O  O15  1  0.809  0.942  0.113  1.0
  O  O16  1  0.115  0.655  0.981  1.0
  O  O17  1  0.160  0.703  0.447  1.0
  O  O18  1  0.277  0.839  0.169  1.0
  O  O19  1  0.759  0.534  0.283  1.0
  O  O20  1  0.241  0.466  0.717  1.0
  O  O21  1  0.723  0.161  0.831  1.0
  O  O22  1  0.840  0.297  0.553  1.0
  O  O23  1  0.885  0.345  0.019  1.0
  O  O24  1  0.191  0.058  0.887  1.0
  O  O25  1  0.106  0.177  0.326  1.0
  O  O26  1  0.699  0.116  0.353  1.0
  O  O27  1  0.453  0.268  0.048  1.0
[/CIF]
.