The crystal structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like 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 T-shaped 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 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 file [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   6.009
_cell_length_c   7.276
_cell_angle_alpha   67.342
_cell_angle_beta   70.321
_cell_angle_gamma   90.379
_symmetry_Int_Tables_number   1
_cell_volume   206.046
_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  0.185  0.392  0.395  1.0
  Li  Li1  1  0.815  0.608  0.605  1.0
  O  O2  1  0.939  0.602  0.313  1.0
  O  O3  1  0.061  0.398  0.687  1.0
  O  O4  1  0.283  0.024  0.477  1.0
  O  O5  1  0.717  0.976  0.523  1.0
  O  O6  1  0.025  0.242  0.079  1.0
  O  O7  1  0.974  0.758  0.921  1.0
  O  O8  1  0.412  0.554  0.784  1.0
  O  O9  1  0.588  0.446  0.216  1.0
  O  O10  1  0.377  0.128  0.815  1.0
  O  O11  1  0.623  0.872  0.185  1.0
  P  P12  1  0.205  0.328  0.841  1.0
  P  P13  1  0.795  0.672  0.159  1.0
  V  V14  1  0.328  0.886  0.715  1.0
  V  V15  1  0.672  0.114  0.285  1.0
[/CIF]
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The crystal structure described by LiVOPO4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like 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 T-shaped 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 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 file [CIF]
data_LiVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.491
_cell_length_b   6.009
_cell_length_c   7.276
_cell_angle_alpha   67.342
_cell_angle_beta   70.321
_cell_angle_gamma   90.379
_symmetry_Int_Tables_number   1
_cell_volume   206.046
_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  0.185  0.392  0.395  1.0
  Li  Li1  1  0.815  0.608  0.605  1.0
  O  O2  1  0.939  0.602  0.313  1.0
  O  O3  1  0.061  0.398  0.687  1.0
  O  O4  1  0.283  0.024  0.477  1.0
  O  O5  1  0.717  0.976  0.523  1.0
  O  O6  1  0.025  0.242  0.079  1.0
  O  O7  1  0.974  0.758  0.921  1.0
  O  O8  1  0.412  0.554  0.784  1.0
  O  O9  1  0.588  0.446  0.216  1.0
  O  O10  1  0.377  0.128  0.815  1.0
  O  O11  1  0.623  0.872  0.185  1.0
  P  P12  1  0.205  0.328  0.841  1.0
  P  P13  1  0.795  0.672  0.159  1.0
  V  V14  1  0.328  0.886  0.715  1.0
  V  V15  1  0.672  0.114  0.285  1.0
[/CIF]
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