The material described by LiV2(SiO4)2 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent V(1)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 72-73°. V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms 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 two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Si site, Si(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Si(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(1), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.863
_cell_length_c   6.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.360
_symmetry_Int_Tables_number   1
_cell_volume   136.986
_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  0.326  0.674  0.500  1.0
  V  V1  1  0.997  0.003  0.242  1.0
  V  V2  1  0.997  0.003  0.758  1.0
  Si  Si3  1  0.350  0.650  0.000  1.0
  Si  Si4  1  0.653  0.347  0.500  1.0
  O  O5  1  0.235  0.765  0.785  1.0
  O  O6  1  0.235  0.765  0.215  1.0
  O  O7  1  0.217  0.279  0.000  1.0
  O  O8  1  0.284  0.227  0.500  1.0
  O  O9  1  0.721  0.783  0.000  1.0
  O  O10  1  0.773  0.716  0.500  1.0
  O  O11  1  0.774  0.226  0.706  1.0
  O  O12  1  0.774  0.226  0.294  1.0
[/CIF]
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The material described by LiV2(SiO4)2 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent V(1)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 72-73°. V(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms 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 two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Si site, Si(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Si(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent V(1), and one Si(2) atom to form distorted edge-sharing OLiV2Si tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.863
_cell_length_b   4.863
_cell_length_c   6.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.360
_symmetry_Int_Tables_number   1
_cell_volume   136.986
_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  0.326  0.674  0.500  1.0
  V  V1  1  0.997  0.003  0.242  1.0
  V  V2  1  0.997  0.003  0.758  1.0
  Si  Si3  1  0.350  0.650  0.000  1.0
  Si  Si4  1  0.653  0.347  0.500  1.0
  O  O5  1  0.235  0.765  0.785  1.0
  O  O6  1  0.235  0.765  0.215  1.0
  O  O7  1  0.217  0.279  0.000  1.0
  O  O8  1  0.284  0.227  0.500  1.0
  O  O9  1  0.721  0.783  0.000  1.0
  O  O10  1  0.773  0.716  0.500  1.0
  O  O11  1  0.774  0.226  0.706  1.0
  O  O12  1  0.774  0.226  0.294  1.0
[/CIF]
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