The crystal structure described by LiV2(SiO4)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), 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(3), 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 four 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with four equivalent V(1)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 44-51°. 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 corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-62°. 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 two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. 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(2), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one V(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) 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(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.871
_cell_length_b   5.845
_cell_length_c   10.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.589
_symmetry_Int_Tables_number   1
_cell_volume   287.943
_cell_formula_units_Z   2
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  0.259  0.298  0.282  1.0
  Li  Li1  1  0.741  0.702  0.782  1.0
  V  V2  1  0.755  0.490  0.065  1.0
  V  V3  1  0.245  0.510  0.565  1.0
  V  V4  1  0.745  0.009  0.532  1.0
  V  V5  1  0.255  0.991  0.032  1.0
  Si  Si6  1  0.183  0.012  0.705  1.0
  Si  Si7  1  0.817  0.988  0.205  1.0
  Si  Si8  1  0.308  0.497  0.894  1.0
  Si  Si9  1  0.692  0.503  0.394  1.0
  O  O10  1  0.513  0.996  0.682  1.0
  O  O11  1  0.487  0.004  0.182  1.0
  O  O12  1  0.890  0.987  0.364  1.0
  O  O13  1  0.110  0.013  0.864  1.0
  O  O14  1  0.989  0.204  0.135  1.0
  O  O15  1  0.011  0.796  0.635  1.0
  O  O16  1  0.020  0.217  0.623  1.0
  O  O17  1  0.981  0.783  0.123  1.0
  O  O18  1  0.459  0.289  0.981  1.0
  O  O19  1  0.541  0.711  0.481  1.0
  O  O20  1  0.530  0.283  0.468  1.0
  O  O21  1  0.470  0.717  0.968  1.0
  O  O22  1  0.583  0.503  0.242  1.0
  O  O23  1  0.417  0.497  0.742  1.0
  O  O24  1  0.977  0.514  0.904  1.0
  O  O25  1  0.023  0.486  0.404  1.0
[/CIF]
.
The crystal structure described by LiV2(SiO4)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), 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(3), 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 four 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(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-51°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with four equivalent V(1)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 44-51°. 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 corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-62°. 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 two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. 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(2), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Si(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one V(1), one V(2), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) 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(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(2), and one Si(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_LiV2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.871
_cell_length_b   5.845
_cell_length_c   10.113
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   89.589
_symmetry_Int_Tables_number   1
_cell_volume   287.943
_cell_formula_units_Z   2
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  0.259  0.298  0.282  1.0
  Li  Li1  1  0.741  0.702  0.782  1.0
  V  V2  1  0.755  0.490  0.065  1.0
  V  V3  1  0.245  0.510  0.565  1.0
  V  V4  1  0.745  0.009  0.532  1.0
  V  V5  1  0.255  0.991  0.032  1.0
  Si  Si6  1  0.183  0.012  0.705  1.0
  Si  Si7  1  0.817  0.988  0.205  1.0
  Si  Si8  1  0.308  0.497  0.894  1.0
  Si  Si9  1  0.692  0.503  0.394  1.0
  O  O10  1  0.513  0.996  0.682  1.0
  O  O11  1  0.487  0.004  0.182  1.0
  O  O12  1  0.890  0.987  0.364  1.0
  O  O13  1  0.110  0.013  0.864  1.0
  O  O14  1  0.989  0.204  0.135  1.0
  O  O15  1  0.011  0.796  0.635  1.0
  O  O16  1  0.020  0.217  0.623  1.0
  O  O17  1  0.981  0.783  0.123  1.0
  O  O18  1  0.459  0.289  0.981  1.0
  O  O19  1  0.541  0.711  0.481  1.0
  O  O20  1  0.530  0.283  0.468  1.0
  O  O21  1  0.470  0.717  0.968  1.0
  O  O22  1  0.583  0.503  0.242  1.0
  O  O23  1  0.417  0.497  0.742  1.0
  O  O24  1  0.977  0.514  0.904  1.0
  O  O25  1  0.023  0.486  0.404  1.0
[/CIF]
.