The material structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. V(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one V(1)O5 trigonal bipyramid. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted 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. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.991
_cell_length_c   6.967
_cell_angle_alpha   69.838
_cell_angle_beta   72.320
_cell_angle_gamma   93.604
_symmetry_Int_Tables_number   1
_cell_volume   200.482
_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  0.175  0.385  0.384  1.0
  Li  Li1  1  0.825  0.615  0.616  1.0
  O  O2  1  0.947  0.618  0.309  1.0
  O  O3  1  0.053  0.382  0.691  1.0
  O  O4  1  0.284  0.013  0.471  1.0
  O  O5  1  0.716  0.987  0.529  1.0
  O  O6  1  0.031  0.253  0.090  1.0
  O  O7  1  0.969  0.747  0.910  1.0
  O  O8  1  0.414  0.560  0.786  1.0
  O  O9  1  0.586  0.440  0.214  1.0
  O  O10  1  0.369  0.129  0.827  1.0
  O  O11  1  0.631  0.871  0.173  1.0
  P  P12  1  0.204  0.329  0.847  1.0
  P  P13  1  0.796  0.671  0.153  1.0
  V  V14  1  0.328  0.885  0.716  1.0
  V  V15  1  0.672  0.115  0.284  1.0
[/CIF]
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The material structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. V(1) is bonded to one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one V(1)O5 trigonal bipyramid. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted 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. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF card [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   5.991
_cell_length_c   6.967
_cell_angle_alpha   69.838
_cell_angle_beta   72.320
_cell_angle_gamma   93.604
_symmetry_Int_Tables_number   1
_cell_volume   200.482
_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  0.175  0.385  0.384  1.0
  Li  Li1  1  0.825  0.615  0.616  1.0
  O  O2  1  0.947  0.618  0.309  1.0
  O  O3  1  0.053  0.382  0.691  1.0
  O  O4  1  0.284  0.013  0.471  1.0
  O  O5  1  0.716  0.987  0.529  1.0
  O  O6  1  0.031  0.253  0.090  1.0
  O  O7  1  0.969  0.747  0.910  1.0
  O  O8  1  0.414  0.560  0.786  1.0
  O  O9  1  0.586  0.440  0.214  1.0
  O  O10  1  0.369  0.129  0.827  1.0
  O  O11  1  0.631  0.871  0.173  1.0
  P  P12  1  0.204  0.329  0.847  1.0
  P  P13  1  0.796  0.671  0.153  1.0
  V  V14  1  0.328  0.885  0.716  1.0
  V  V15  1  0.672  0.115  0.284  1.0
[/CIF]
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