The material described by LiV(PO4)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   13.926
_cell_angle_alpha   84.710
_cell_angle_beta   84.710
_cell_angle_gamma   55.816
_symmetry_Int_Tables_number   1
_cell_volume   287.912
_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  0.931  0.069  0.750  1.0
  Li  Li1  1  0.069  0.931  0.250  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.679  0.639  0.116  1.0
  P  P5  1  0.639  0.679  0.616  1.0
  P  P6  1  0.361  0.321  0.384  1.0
  P  P7  1  0.321  0.361  0.884  1.0
  O  O8  1  0.418  0.782  0.037  1.0
  O  O9  1  0.782  0.418  0.537  1.0
  O  O10  1  0.782  0.527  0.711  1.0
  O  O11  1  0.938  0.710  0.076  1.0
  O  O12  1  0.710  0.938  0.576  1.0
  O  O13  1  0.527  0.782  0.211  1.0
  O  O14  1  0.858  0.263  0.116  1.0
  O  O15  1  0.737  0.142  0.384  1.0
  O  O16  1  0.263  0.858  0.616  1.0
  O  O17  1  0.582  0.218  0.963  1.0
  O  O18  1  0.142  0.737  0.884  1.0
  O  O19  1  0.290  0.062  0.424  1.0
  O  O20  1  0.062  0.290  0.924  1.0
  O  O21  1  0.218  0.473  0.289  1.0
  O  O22  1  0.218  0.582  0.463  1.0
  O  O23  1  0.473  0.218  0.789  1.0
[/CIF]
.
The material described by LiV(PO4)2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(4) atoms. V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_LiV(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.013
_cell_length_c   13.926
_cell_angle_alpha   84.710
_cell_angle_beta   84.710
_cell_angle_gamma   55.816
_symmetry_Int_Tables_number   1
_cell_volume   287.912
_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  0.931  0.069  0.750  1.0
  Li  Li1  1  0.069  0.931  0.250  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.679  0.639  0.116  1.0
  P  P5  1  0.639  0.679  0.616  1.0
  P  P6  1  0.361  0.321  0.384  1.0
  P  P7  1  0.321  0.361  0.884  1.0
  O  O8  1  0.418  0.782  0.037  1.0
  O  O9  1  0.782  0.418  0.537  1.0
  O  O10  1  0.782  0.527  0.711  1.0
  O  O11  1  0.938  0.710  0.076  1.0
  O  O12  1  0.710  0.938  0.576  1.0
  O  O13  1  0.527  0.782  0.211  1.0
  O  O14  1  0.858  0.263  0.116  1.0
  O  O15  1  0.737  0.142  0.384  1.0
  O  O16  1  0.263  0.858  0.616  1.0
  O  O17  1  0.582  0.218  0.963  1.0
  O  O18  1  0.142  0.737  0.884  1.0
  O  O19  1  0.290  0.062  0.424  1.0
  O  O20  1  0.062  0.290  0.924  1.0
  O  O21  1  0.218  0.473  0.289  1.0
  O  O22  1  0.218  0.582  0.463  1.0
  O  O23  1  0.473  0.218  0.789  1.0
[/CIF]
.