The crystal structure described by Li2VSiO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(3), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(3)O4 trigonal pyramids. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(3), and one Si(3) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(6), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(3), and one Si(1) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one V(2), one V(3), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), two equivalent V(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent V(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.988
_cell_length_c   11.895
_cell_angle_alpha   88.043
_cell_angle_beta   89.052
_cell_angle_gamma   62.450
_symmetry_Int_Tables_number   1
_cell_volume   255.741
_cell_formula_units_Z   3
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  0.698  0.404  0.587  1.0
  Li  Li1  1  0.882  0.678  0.937  1.0
  Li  Li2  1  0.439  0.888  0.234  1.0
  Li  Li3  1  0.542  0.355  0.062  1.0
  Li  Li4  1  0.338  0.114  0.753  1.0
  Li  Li5  1  0.119  0.547  0.426  1.0
  O  O6  1  0.850  0.288  0.955  1.0
  O  O7  1  0.911  0.651  0.561  1.0
  O  O8  1  0.632  0.448  0.218  1.0
  O  O9  1  0.791  0.888  0.324  1.0
  O  O10  1  0.727  0.120  0.698  1.0
  O  O11  1  0.334  0.796  0.645  1.0
  O  O12  1  0.435  0.894  0.897  1.0
  O  O13  1  0.319  0.130  0.103  1.0
  O  O14  1  0.552  0.405  0.440  1.0
  O  O15  1  0.128  0.187  0.349  1.0
  O  O16  1  0.122  0.733  0.052  1.0
  O  O17  1  0.064  0.545  0.780  1.0
  Si  Si18  1  0.003  0.781  0.672  1.0
  Si  Si19  1  0.771  0.230  0.332  1.0
  Si  Si20  1  0.181  0.013  1.000  1.0
  V  V21  1  0.065  0.514  0.197  1.0
  V  V22  1  0.495  0.894  0.473  1.0
  V  V23  1  0.602  0.495  0.805  1.0
[/CIF]
.
The crystal structure described by Li2VSiO4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(7) atom. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(4), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Si(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with three equivalent Si(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(3), and one O(8) atom. In the fifth Li site, Li(5) is bonded to one O(12), one O(5), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the sixth Li site, Li(6) is bonded to one O(10), one O(2), one O(4), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and corners with two equivalent Li(3)O4 trigonal pyramids. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(4), one O(8), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(1), one O(5), one O(6), one O(7), and two equivalent O(12) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(12), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, and corners with three equivalent Li(1)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(10), one O(3), one O(4), and one O(9) atom to form SiO4 tetrahedra that share corners with three equivalent Li(6)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with three equivalent Li(3)O4 trigonal pyramids. In the third Si site, Si(3) is bonded to one O(1), one O(11), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra and  a cornercorner with one Li(3)O4 trigonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one V(3), and one Si(3) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(6), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), two equivalent V(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one V(3), and one Si(1) atom to form distorted corner-sharing OLi2VSi tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Li(5), one V(2), one V(3), and one Si(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(5), one V(3), and one Si(3) atom. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Li(6), two equivalent V(2), and one Si(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(3), one Li(6), one V(1), one V(2), and one Si(2) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(4), one V(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2VSi tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(2), one Li(5), two equivalent V(3), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.864
_cell_length_b   4.988
_cell_length_c   11.895
_cell_angle_alpha   88.043
_cell_angle_beta   89.052
_cell_angle_gamma   62.450
_symmetry_Int_Tables_number   1
_cell_volume   255.741
_cell_formula_units_Z   3
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  0.698  0.404  0.587  1.0
  Li  Li1  1  0.882  0.678  0.937  1.0
  Li  Li2  1  0.439  0.888  0.234  1.0
  Li  Li3  1  0.542  0.355  0.062  1.0
  Li  Li4  1  0.338  0.114  0.753  1.0
  Li  Li5  1  0.119  0.547  0.426  1.0
  O  O6  1  0.850  0.288  0.955  1.0
  O  O7  1  0.911  0.651  0.561  1.0
  O  O8  1  0.632  0.448  0.218  1.0
  O  O9  1  0.791  0.888  0.324  1.0
  O  O10  1  0.727  0.120  0.698  1.0
  O  O11  1  0.334  0.796  0.645  1.0
  O  O12  1  0.435  0.894  0.897  1.0
  O  O13  1  0.319  0.130  0.103  1.0
  O  O14  1  0.552  0.405  0.440  1.0
  O  O15  1  0.128  0.187  0.349  1.0
  O  O16  1  0.122  0.733  0.052  1.0
  O  O17  1  0.064  0.545  0.780  1.0
  Si  Si18  1  0.003  0.781  0.672  1.0
  Si  Si19  1  0.771  0.230  0.332  1.0
  Si  Si20  1  0.181  0.013  1.000  1.0
  V  V21  1  0.065  0.514  0.197  1.0
  V  V22  1  0.495  0.894  0.473  1.0
  V  V23  1  0.602  0.495  0.805  1.0
[/CIF]
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