The crystal structure described by LiVOPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and  an edgeedge with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   7.590
_cell_length_c   8.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.271
_cell_formula_units_Z   4
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  0.398  0.626  0.752  1.0
  Li  Li1  1  0.102  0.374  0.252  1.0
  Li  Li2  1  0.602  0.126  0.748  1.0
  Li  Li3  1  0.898  0.874  0.248  1.0
  V  V4  1  0.879  0.579  0.597  1.0
  V  V5  1  0.621  0.421  0.097  1.0
  V  V6  1  0.121  0.079  0.903  1.0
  V  V7  1  0.379  0.921  0.403  1.0
  P  P8  1  0.897  0.693  0.901  1.0
  P  P9  1  0.603  0.307  0.401  1.0
  P  P10  1  0.103  0.193  0.599  1.0
  P  P11  1  0.397  0.807  0.099  1.0
  O  O12  1  0.894  0.726  0.451  1.0
  O  O13  1  0.709  0.675  0.780  1.0
  O  O14  1  0.428  0.618  0.038  1.0
  O  O15  1  0.865  0.574  0.050  1.0
  O  O16  1  0.077  0.628  0.787  1.0
  O  O17  1  0.423  0.372  0.287  1.0
  O  O18  1  0.635  0.426  0.550  1.0
  O  O19  1  0.072  0.382  0.538  1.0
  O  O20  1  0.791  0.325  0.280  1.0
  O  O21  1  0.606  0.274  0.951  1.0
  O  O22  1  0.106  0.226  0.049  1.0
  O  O23  1  0.291  0.175  0.720  1.0
  O  O24  1  0.572  0.118  0.462  1.0
  O  O25  1  0.135  0.074  0.450  1.0
  O  O26  1  0.923  0.128  0.713  1.0
  O  O27  1  0.577  0.872  0.213  1.0
  O  O28  1  0.365  0.926  0.950  1.0
  O  O29  1  0.928  0.882  0.962  1.0
  O  O30  1  0.209  0.825  0.220  1.0
  O  O31  1  0.394  0.774  0.549  1.0
[/CIF]
.
The crystal structure described by LiVOPO4 crystallizes in the orthorhombic P2_12_12_1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(5) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O5 trigonal bipyramids and  an edgeedge with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.419
_cell_length_b   7.590
_cell_length_c   8.298
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   404.271
_cell_formula_units_Z   4
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  0.398  0.626  0.752  1.0
  Li  Li1  1  0.102  0.374  0.252  1.0
  Li  Li2  1  0.602  0.126  0.748  1.0
  Li  Li3  1  0.898  0.874  0.248  1.0
  V  V4  1  0.879  0.579  0.597  1.0
  V  V5  1  0.621  0.421  0.097  1.0
  V  V6  1  0.121  0.079  0.903  1.0
  V  V7  1  0.379  0.921  0.403  1.0
  P  P8  1  0.897  0.693  0.901  1.0
  P  P9  1  0.603  0.307  0.401  1.0
  P  P10  1  0.103  0.193  0.599  1.0
  P  P11  1  0.397  0.807  0.099  1.0
  O  O12  1  0.894  0.726  0.451  1.0
  O  O13  1  0.709  0.675  0.780  1.0
  O  O14  1  0.428  0.618  0.038  1.0
  O  O15  1  0.865  0.574  0.050  1.0
  O  O16  1  0.077  0.628  0.787  1.0
  O  O17  1  0.423  0.372  0.287  1.0
  O  O18  1  0.635  0.426  0.550  1.0
  O  O19  1  0.072  0.382  0.538  1.0
  O  O20  1  0.791  0.325  0.280  1.0
  O  O21  1  0.606  0.274  0.951  1.0
  O  O22  1  0.106  0.226  0.049  1.0
  O  O23  1  0.291  0.175  0.720  1.0
  O  O24  1  0.572  0.118  0.462  1.0
  O  O25  1  0.135  0.074  0.450  1.0
  O  O26  1  0.923  0.128  0.713  1.0
  O  O27  1  0.577  0.872  0.213  1.0
  O  O28  1  0.365  0.926  0.950  1.0
  O  O29  1  0.928  0.882  0.962  1.0
  O  O30  1  0.209  0.825  0.220  1.0
  O  O31  1  0.394  0.774  0.549  1.0
[/CIF]
.