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 rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(6), 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(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. In the second V site, V(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2VSi tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(2), and one Si(1) atom to form distorted OLiV2Si tetrahedra that share  a cornercorner with one O(2)Li2VSi tetrahedra, corners with two equivalent O(8)LiV2Si tetrahedra, and  an edgeedge with one O(2)Li2VSi tetrahedra. 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 4-coordinate geometry to one Li(2), one V(1), one V(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Si(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one V(1), one V(2), and one Si(2) atom to form distorted OLiV2Si tetrahedra that share corners with two equivalent O(2)Li2VSi tetrahedra and corners with two equivalent O(4)LiV2Si tetrahedra. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   5.630
_cell_length_c   6.395
_cell_angle_alpha   106.049
_cell_angle_beta   104.206
_cell_angle_gamma   80.275
_symmetry_Int_Tables_number   1
_cell_volume   311.315
_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  0.138  0.196  0.383  1.0
  Li  Li1  1  0.221  0.698  0.432  1.0
  Li  Li2  1  0.779  0.302  0.568  1.0
  Li  Li3  1  0.862  0.804  0.617  1.0
  V  V4  1  0.206  0.707  0.929  1.0
  V  V5  1  0.426  0.215  0.165  1.0
  V  V6  1  0.574  0.785  0.835  1.0
  V  V7  1  0.794  0.293  0.071  1.0
  Si  Si8  1  0.095  0.165  0.828  1.0
  Si  Si9  1  0.462  0.322  0.709  1.0
  Si  Si10  1  0.538  0.678  0.290  1.0
  Si  Si11  1  0.905  0.835  0.172  1.0
  O  O12  1  0.147  0.364  0.727  1.0
  O  O13  1  0.101  0.869  0.676  1.0
  O  O14  1  0.076  0.754  0.142  1.0
  O  O15  1  0.213  0.116  0.060  1.0
  O  O16  1  0.447  0.126  0.847  1.0
  O  O17  1  0.386  0.617  0.778  1.0
  O  O18  1  0.388  0.221  0.451  1.0
  O  O19  1  0.361  0.613  0.218  1.0
  O  O20  1  0.639  0.387  0.782  1.0
  O  O21  1  0.612  0.779  0.549  1.0
  O  O22  1  0.614  0.383  0.222  1.0
  O  O23  1  0.553  0.874  0.154  1.0
  O  O24  1  0.787  0.884  0.940  1.0
  O  O25  1  0.924  0.246  0.858  1.0
  O  O26  1  0.899  0.131  0.324  1.0
  O  O27  1  0.853  0.636  0.273  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 rectangular see-saw-like geometry to one O(1), one O(2), one O(4), and one O(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(6), 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(2), one O(3), one O(4), one O(6), and one O(8) atom to form distorted VO6 octahedra that share corners with three equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. In the second V site, V(2) is bonded to one O(4), one O(6), one O(7), one O(8), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-68°. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-59°. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one V(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2VSi tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one V(1), one V(2), and one Si(1) atom to form distorted OLiV2Si tetrahedra that share  a cornercorner with one O(2)Li2VSi tetrahedra, corners with two equivalent O(8)LiV2Si tetrahedra, and  an edgeedge with one O(2)Li2VSi tetrahedra. 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 4-coordinate geometry to one Li(2), one V(1), one V(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Si(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one V(1), one V(2), and one Si(2) atom to form distorted OLiV2Si tetrahedra that share corners with two equivalent O(2)Li2VSi tetrahedra and corners with two equivalent O(4)LiV2Si tetrahedra. is represented by the CIF card [CIF]
data_LiVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.337
_cell_length_b   5.630
_cell_length_c   6.395
_cell_angle_alpha   106.049
_cell_angle_beta   104.206
_cell_angle_gamma   80.275
_symmetry_Int_Tables_number   1
_cell_volume   311.315
_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  0.138  0.196  0.383  1.0
  Li  Li1  1  0.221  0.698  0.432  1.0
  Li  Li2  1  0.779  0.302  0.568  1.0
  Li  Li3  1  0.862  0.804  0.617  1.0
  V  V4  1  0.206  0.707  0.929  1.0
  V  V5  1  0.426  0.215  0.165  1.0
  V  V6  1  0.574  0.785  0.835  1.0
  V  V7  1  0.794  0.293  0.071  1.0
  Si  Si8  1  0.095  0.165  0.828  1.0
  Si  Si9  1  0.462  0.322  0.709  1.0
  Si  Si10  1  0.538  0.678  0.290  1.0
  Si  Si11  1  0.905  0.835  0.172  1.0
  O  O12  1  0.147  0.364  0.727  1.0
  O  O13  1  0.101  0.869  0.676  1.0
  O  O14  1  0.076  0.754  0.142  1.0
  O  O15  1  0.213  0.116  0.060  1.0
  O  O16  1  0.447  0.126  0.847  1.0
  O  O17  1  0.386  0.617  0.778  1.0
  O  O18  1  0.388  0.221  0.451  1.0
  O  O19  1  0.361  0.613  0.218  1.0
  O  O20  1  0.639  0.387  0.782  1.0
  O  O21  1  0.612  0.779  0.549  1.0
  O  O22  1  0.614  0.383  0.222  1.0
  O  O23  1  0.553  0.874  0.154  1.0
  O  O24  1  0.787  0.884  0.940  1.0
  O  O25  1  0.924  0.246  0.858  1.0
  O  O26  1  0.899  0.131  0.324  1.0
  O  O27  1  0.853  0.636  0.273  1.0
[/CIF]
.