The crystal structure described by Li2VOP2O7 crystallizes in the trigonal P-3 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and 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  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   8.396
_cell_length_c   7.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   450.541
_cell_formula_units_Z   3
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  0.969  0.309  0.637  1.0
  Li  Li1  1  0.341  0.031  0.637  1.0
  Li  Li2  1  0.309  0.341  0.363  1.0
  Li  Li3  1  0.691  0.659  0.637  1.0
  Li  Li4  1  0.659  0.969  0.363  1.0
  Li  Li5  1  0.031  0.691  0.363  1.0
  V  V6  1  0.000  0.000  0.000  1.0
  V  V7  1  0.667  0.333  0.925  1.0
  V  V8  1  0.333  0.667  0.075  1.0
  P  P9  1  0.960  0.309  0.220  1.0
  P  P10  1  0.349  0.040  0.220  1.0
  P  P11  1  0.309  0.349  0.780  1.0
  P  P12  1  0.691  0.651  0.220  1.0
  P  P13  1  0.651  0.960  0.780  1.0
  P  P14  1  0.040  0.691  0.780  1.0
  O  O15  1  0.859  0.064  0.840  1.0
  O  O16  1  0.862  0.232  0.398  1.0
  O  O17  1  0.598  0.114  0.762  1.0
  O  O18  1  0.819  0.282  0.072  1.0
  O  O19  1  0.463  0.181  0.072  1.0
  O  O20  1  0.370  0.138  0.398  1.0
  O  O21  1  0.886  0.483  0.762  1.0
  O  O22  1  0.205  0.141  0.840  1.0
  O  O23  1  0.517  0.402  0.762  1.0
  O  O24  1  0.064  0.205  0.160  1.0
  O  O25  1  0.718  0.537  0.072  1.0
  O  O26  1  0.768  0.630  0.398  1.0
  O  O27  1  0.232  0.370  0.602  1.0
  O  O28  1  0.282  0.463  0.928  1.0
  O  O29  1  0.936  0.795  0.840  1.0
  O  O30  1  0.483  0.598  0.238  1.0
  O  O31  1  0.795  0.859  0.160  1.0
  O  O32  1  0.114  0.517  0.238  1.0
  O  O33  1  0.630  0.862  0.602  1.0
  O  O34  1  0.537  0.819  0.928  1.0
  O  O35  1  0.181  0.718  0.928  1.0
  O  O36  1  0.402  0.886  0.238  1.0
  O  O37  1  0.138  0.768  0.602  1.0
  O  O38  1  0.141  0.936  0.160  1.0
[/CIF]
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The crystal structure described by Li2VOP2O7 crystallizes in the trigonal P-3 space group. Li(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. There are two inequivalent V sites. In the first V site, V(1) is bonded to six equivalent O(1) atoms to form VO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and corners with six equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra and 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  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.396
_cell_length_b   8.396
_cell_length_c   7.379
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   450.541
_cell_formula_units_Z   3
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  0.969  0.309  0.637  1.0
  Li  Li1  1  0.341  0.031  0.637  1.0
  Li  Li2  1  0.309  0.341  0.363  1.0
  Li  Li3  1  0.691  0.659  0.637  1.0
  Li  Li4  1  0.659  0.969  0.363  1.0
  Li  Li5  1  0.031  0.691  0.363  1.0
  V  V6  1  0.000  0.000  0.000  1.0
  V  V7  1  0.667  0.333  0.925  1.0
  V  V8  1  0.333  0.667  0.075  1.0
  P  P9  1  0.960  0.309  0.220  1.0
  P  P10  1  0.349  0.040  0.220  1.0
  P  P11  1  0.309  0.349  0.780  1.0
  P  P12  1  0.691  0.651  0.220  1.0
  P  P13  1  0.651  0.960  0.780  1.0
  P  P14  1  0.040  0.691  0.780  1.0
  O  O15  1  0.859  0.064  0.840  1.0
  O  O16  1  0.862  0.232  0.398  1.0
  O  O17  1  0.598  0.114  0.762  1.0
  O  O18  1  0.819  0.282  0.072  1.0
  O  O19  1  0.463  0.181  0.072  1.0
  O  O20  1  0.370  0.138  0.398  1.0
  O  O21  1  0.886  0.483  0.762  1.0
  O  O22  1  0.205  0.141  0.840  1.0
  O  O23  1  0.517  0.402  0.762  1.0
  O  O24  1  0.064  0.205  0.160  1.0
  O  O25  1  0.718  0.537  0.072  1.0
  O  O26  1  0.768  0.630  0.398  1.0
  O  O27  1  0.232  0.370  0.602  1.0
  O  O28  1  0.282  0.463  0.928  1.0
  O  O29  1  0.936  0.795  0.840  1.0
  O  O30  1  0.483  0.598  0.238  1.0
  O  O31  1  0.795  0.859  0.160  1.0
  O  O32  1  0.114  0.517  0.238  1.0
  O  O33  1  0.630  0.862  0.602  1.0
  O  O34  1  0.537  0.819  0.928  1.0
  O  O35  1  0.181  0.718  0.928  1.0
  O  O36  1  0.402  0.886  0.238  1.0
  O  O37  1  0.138  0.768  0.602  1.0
  O  O38  1  0.141  0.936  0.160  1.0
[/CIF]
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