The crystal structure described by Li2VP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(12), one O(13), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(10), one O(12), one O(2), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(14), one O(6), one O(7), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(14), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. There are fourteen 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(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.116
_cell_length_c   13.497
_cell_angle_alpha   102.769
_cell_angle_beta   100.938
_cell_angle_gamma   59.921
_symmetry_Int_Tables_number   1
_cell_volume   297.267
_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  0.900  0.879  0.096  1.0
  Li  Li1  1  0.683  0.622  0.405  1.0
  Li  Li2  1  0.315  0.378  0.596  1.0
  Li  Li3  1  0.100  0.122  0.904  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.999  1.000  0.500  1.0
  P  P6  1  0.767  0.779  0.868  1.0
  P  P7  1  0.675  0.721  0.632  1.0
  P  P8  1  0.323  0.278  0.368  1.0
  P  P9  1  0.233  0.221  0.132  1.0
  O  O10  1  0.508  0.913  0.100  1.0
  O  O11  1  0.359  0.994  0.617  1.0
  O  O12  1  0.910  0.730  0.579  1.0
  O  O13  1  0.800  0.750  0.750  1.0
  O  O14  1  0.321  0.586  0.400  1.0
  O  O15  1  0.064  0.770  0.920  1.0
  O  O16  1  0.739  0.506  0.884  1.0
  O  O17  1  0.262  0.494  0.117  1.0
  O  O18  1  0.937  0.230  0.079  1.0
  O  O19  1  0.677  0.412  0.600  1.0
  O  O20  1  0.199  0.250  0.250  1.0
  O  O21  1  0.088  0.269  0.421  1.0
  O  O22  1  0.640  0.005  0.383  1.0
  O  O23  1  0.493  0.087  0.900  1.0
[/CIF]
.
The crystal structure described by Li2VP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(6), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(12), one O(13), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one O(10), one O(12), one O(2), and one O(3) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal planar geometry to one O(14), one O(6), one O(7), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(14), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(12), one O(13), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share corners with three equivalent P(2)O4 tetrahedra and corners with three equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(13), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. In the fourth P site, P(4) is bonded to one O(1), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-54°. There are fourteen 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(4) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one V(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.124
_cell_length_b   5.116
_cell_length_c   13.497
_cell_angle_alpha   102.769
_cell_angle_beta   100.938
_cell_angle_gamma   59.921
_symmetry_Int_Tables_number   1
_cell_volume   297.267
_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  0.900  0.879  0.096  1.0
  Li  Li1  1  0.683  0.622  0.405  1.0
  Li  Li2  1  0.315  0.378  0.596  1.0
  Li  Li3  1  0.100  0.122  0.904  1.0
  V  V4  1  0.500  0.500  0.000  1.0
  V  V5  1  0.999  1.000  0.500  1.0
  P  P6  1  0.767  0.779  0.868  1.0
  P  P7  1  0.675  0.721  0.632  1.0
  P  P8  1  0.323  0.278  0.368  1.0
  P  P9  1  0.233  0.221  0.132  1.0
  O  O10  1  0.508  0.913  0.100  1.0
  O  O11  1  0.359  0.994  0.617  1.0
  O  O12  1  0.910  0.730  0.579  1.0
  O  O13  1  0.800  0.750  0.750  1.0
  O  O14  1  0.321  0.586  0.400  1.0
  O  O15  1  0.064  0.770  0.920  1.0
  O  O16  1  0.739  0.506  0.884  1.0
  O  O17  1  0.262  0.494  0.117  1.0
  O  O18  1  0.937  0.230  0.079  1.0
  O  O19  1  0.677  0.412  0.600  1.0
  O  O20  1  0.199  0.250  0.250  1.0
  O  O21  1  0.088  0.269  0.421  1.0
  O  O22  1  0.640  0.005  0.383  1.0
  O  O23  1  0.493  0.087  0.900  1.0
[/CIF]
.