The compound described by LiV2(SiO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 70-75°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-57°. 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(1) atom. In the second O site, O(2) is bonded in a 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 bent 150 degrees geometry to one V(2) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.883
_cell_length_b   4.883
_cell_length_c   6.293
_cell_angle_alpha   90.137
_cell_angle_beta   90.112
_cell_angle_gamma   67.691
_symmetry_Int_Tables_number   1
_cell_volume   138.826
_cell_formula_units_Z   1
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  0.677  0.670  0.464  1.0
  O  O1  1  0.769  0.771  0.752  1.0
  O  O2  1  0.757  0.760  0.180  1.0
  O  O3  1  0.221  0.224  0.671  1.0
  O  O4  1  0.234  0.238  0.255  1.0
  O  O5  1  0.782  0.281  0.957  1.0
  O  O6  1  0.279  0.783  0.957  1.0
  O  O7  1  0.715  0.227  0.476  1.0
  O  O8  1  0.226  0.716  0.476  1.0
  Si  Si9  1  0.649  0.651  0.964  1.0
  Si  Si10  1  0.346  0.348  0.465  1.0
  V  V11  1  0.001  0.002  0.213  1.0
  V  V12  1  0.003  0.005  0.728  1.0
[/CIF]
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The compound described by LiV2(SiO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 70-75°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-57°. 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(1) atom. In the second O site, O(2) is bonded in a 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 bent 150 degrees geometry to one V(2) and one Si(2) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(1) and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the seventh O site, O(7) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one V(1), one V(2), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.883
_cell_length_b   4.883
_cell_length_c   6.293
_cell_angle_alpha   90.137
_cell_angle_beta   90.112
_cell_angle_gamma   67.691
_symmetry_Int_Tables_number   1
_cell_volume   138.826
_cell_formula_units_Z   1
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  0.677  0.670  0.464  1.0
  O  O1  1  0.769  0.771  0.752  1.0
  O  O2  1  0.757  0.760  0.180  1.0
  O  O3  1  0.221  0.224  0.671  1.0
  O  O4  1  0.234  0.238  0.255  1.0
  O  O5  1  0.782  0.281  0.957  1.0
  O  O6  1  0.279  0.783  0.957  1.0
  O  O7  1  0.715  0.227  0.476  1.0
  O  O8  1  0.226  0.716  0.476  1.0
  Si  Si9  1  0.649  0.651  0.964  1.0
  Si  Si10  1  0.346  0.348  0.465  1.0
  V  V11  1  0.001  0.002  0.213  1.0
  V  V12  1  0.003  0.005  0.728  1.0
[/CIF]
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