The structure described by LiVPO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent V(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 pentagonal pyramids and  an edgeedge with one V(1)O6 pentagonal pyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.494
_cell_length_b   6.424
_cell_length_c   5.494
_cell_angle_alpha   76.896
_cell_angle_beta   61.979
_cell_angle_gamma   103.104
_symmetry_Int_Tables_number   1
_cell_volume   153.676
_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  0.810  0.250  0.810  1.0
  Li  Li1  1  0.560  0.750  0.560  1.0
  V  V2  1  0.184  0.750  0.184  1.0
  V  V3  1  0.434  0.250  0.434  1.0
  P  P4  1  0.122  0.250  0.122  1.0
  P  P5  1  0.872  0.750  0.872  1.0
  O  O6  1  0.788  0.105  0.266  1.0
  O  O7  1  0.871  0.605  0.683  1.0
  O  O8  1  0.266  0.395  0.788  1.0
  O  O9  1  0.683  0.895  0.871  1.0
  O  O10  1  0.304  0.100  0.152  1.0
  O  O11  1  0.751  0.600  0.204  1.0
  O  O12  1  0.152  0.400  0.304  1.0
  O  O13  1  0.204  0.900  0.751  1.0
[/CIF]
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The structure described by LiVPO4 crystallizes in the orthorhombic Fdd2 space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 pentagonal pyramids that share corners with four equivalent V(1)O6 pentagonal pyramids, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 pentagonal pyramids and  an edgeedge with one V(1)O6 pentagonal pyramid. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent V(1), and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.494
_cell_length_b   6.424
_cell_length_c   5.494
_cell_angle_alpha   76.896
_cell_angle_beta   61.979
_cell_angle_gamma   103.104
_symmetry_Int_Tables_number   1
_cell_volume   153.676
_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  0.810  0.250  0.810  1.0
  Li  Li1  1  0.560  0.750  0.560  1.0
  V  V2  1  0.184  0.750  0.184  1.0
  V  V3  1  0.434  0.250  0.434  1.0
  P  P4  1  0.122  0.250  0.122  1.0
  P  P5  1  0.872  0.750  0.872  1.0
  O  O6  1  0.788  0.105  0.266  1.0
  O  O7  1  0.871  0.605  0.683  1.0
  O  O8  1  0.266  0.395  0.788  1.0
  O  O9  1  0.683  0.895  0.871  1.0
  O  O10  1  0.304  0.100  0.152  1.0
  O  O11  1  0.751  0.600  0.204  1.0
  O  O12  1  0.152  0.400  0.304  1.0
  O  O13  1  0.204  0.900  0.751  1.0
[/CIF]
.