The structure described by Li2V3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(4) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-65°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent V(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(1), and one P(3) atom to form edge-sharing OLi3P trigonal pyramids. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), 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 V(1), one V(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2V3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   6.625
_cell_length_c   16.032
_cell_angle_alpha   81.676
_cell_angle_beta   83.468
_cell_angle_gamma   72.266
_symmetry_Int_Tables_number   1
_cell_volume   532.949
_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  0.073  0.215  0.993  1.0
  Li  Li1  1  0.362  0.683  0.120  1.0
  Li  Li2  1  0.638  0.317  0.880  1.0
  Li  Li3  1  0.927  0.785  0.007  1.0
  V  V4  1  0.161  0.286  0.578  1.0
  V  V5  1  0.035  0.622  0.815  1.0
  V  V6  1  0.251  0.970  0.332  1.0
  V  V7  1  0.749  0.030  0.668  1.0
  V  V8  1  0.965  0.378  0.185  1.0
  V  V9  1  0.839  0.714  0.422  1.0
  P  P10  1  0.167  0.095  0.790  1.0
  P  P11  1  0.374  0.445  0.318  1.0
  P  P12  1  0.561  0.243  0.073  1.0
  P  P13  1  0.278  0.784  0.539  1.0
  P  P14  1  0.722  0.216  0.461  1.0
  P  P15  1  0.439  0.757  0.927  1.0
  P  P16  1  0.626  0.555  0.682  1.0
  P  P17  1  0.833  0.905  0.210  1.0
  O  O18  1  0.023  0.035  0.217  1.0
  O  O19  1  0.260  0.321  0.072  1.0
  O  O20  1  0.218  0.307  0.291  1.0
  O  O21  1  0.024  0.288  0.840  1.0
  O  O22  1  0.190  0.662  0.339  1.0
  O  O23  1  0.124  0.625  0.534  1.0
  O  O24  1  0.324  0.144  0.708  1.0
  O  O25  1  0.603  0.052  0.151  1.0
  O  O26  1  0.110  0.974  0.585  1.0
  O  O27  1  0.713  0.142  0.995  1.0
  O  O28  1  0.470  0.328  0.408  1.0
  O  O29  1  0.325  0.583  0.907  1.0
  O  O30  1  0.583  0.150  0.545  1.0
  O  O31  1  0.601  0.471  0.257  1.0
  O  O32  1  0.399  0.529  0.743  1.0
  O  O33  1  0.417  0.850  0.455  1.0
  O  O34  1  0.675  0.417  0.093  1.0
  O  O35  1  0.530  0.672  0.592  1.0
  O  O36  1  0.287  0.858  0.005  1.0
  O  O37  1  0.890  0.026  0.415  1.0
  O  O38  1  0.397  0.948  0.849  1.0
  O  O39  1  0.676  0.856  0.292  1.0
  O  O40  1  0.876  0.375  0.466  1.0
  O  O41  1  0.810  0.338  0.661  1.0
  O  O42  1  0.976  0.712  0.160  1.0
  O  O43  1  0.782  0.693  0.709  1.0
  O  O44  1  0.740  0.679  0.928  1.0
  O  O45  1  0.977  0.965  0.783  1.0
[/CIF]
.
The structure described by Li2V3(P2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(10) atoms. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(10), one O(12), and one O(4) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(5), one O(7), one O(9), and two equivalent O(6) atoms to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with four equivalent P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(12), one O(14), one O(2), one O(3), and one O(4) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(1), one O(13), one O(3), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. In the second P site, P(2) is bonded to one O(11), one O(14), one O(3), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-54°. In the third P site, P(3) is bonded to one O(10), one O(12), one O(2), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the fourth P site, P(4) is bonded to one O(11), one O(13), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(3)O6 octahedra, corners with four equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-65°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent V(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one P(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(2), two equivalent Li(1), and one P(3) atom to form edge-sharing OLi3P trigonal pyramids. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one P(2) and one P(4) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), 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 V(1), one V(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the CIF card [CIF]
data_Li2V3(P2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   6.625
_cell_length_c   16.032
_cell_angle_alpha   81.676
_cell_angle_beta   83.468
_cell_angle_gamma   72.266
_symmetry_Int_Tables_number   1
_cell_volume   532.949
_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  0.073  0.215  0.993  1.0
  Li  Li1  1  0.362  0.683  0.120  1.0
  Li  Li2  1  0.638  0.317  0.880  1.0
  Li  Li3  1  0.927  0.785  0.007  1.0
  V  V4  1  0.161  0.286  0.578  1.0
  V  V5  1  0.035  0.622  0.815  1.0
  V  V6  1  0.251  0.970  0.332  1.0
  V  V7  1  0.749  0.030  0.668  1.0
  V  V8  1  0.965  0.378  0.185  1.0
  V  V9  1  0.839  0.714  0.422  1.0
  P  P10  1  0.167  0.095  0.790  1.0
  P  P11  1  0.374  0.445  0.318  1.0
  P  P12  1  0.561  0.243  0.073  1.0
  P  P13  1  0.278  0.784  0.539  1.0
  P  P14  1  0.722  0.216  0.461  1.0
  P  P15  1  0.439  0.757  0.927  1.0
  P  P16  1  0.626  0.555  0.682  1.0
  P  P17  1  0.833  0.905  0.210  1.0
  O  O18  1  0.023  0.035  0.217  1.0
  O  O19  1  0.260  0.321  0.072  1.0
  O  O20  1  0.218  0.307  0.291  1.0
  O  O21  1  0.024  0.288  0.840  1.0
  O  O22  1  0.190  0.662  0.339  1.0
  O  O23  1  0.124  0.625  0.534  1.0
  O  O24  1  0.324  0.144  0.708  1.0
  O  O25  1  0.603  0.052  0.151  1.0
  O  O26  1  0.110  0.974  0.585  1.0
  O  O27  1  0.713  0.142  0.995  1.0
  O  O28  1  0.470  0.328  0.408  1.0
  O  O29  1  0.325  0.583  0.907  1.0
  O  O30  1  0.583  0.150  0.545  1.0
  O  O31  1  0.601  0.471  0.257  1.0
  O  O32  1  0.399  0.529  0.743  1.0
  O  O33  1  0.417  0.850  0.455  1.0
  O  O34  1  0.675  0.417  0.093  1.0
  O  O35  1  0.530  0.672  0.592  1.0
  O  O36  1  0.287  0.858  0.005  1.0
  O  O37  1  0.890  0.026  0.415  1.0
  O  O38  1  0.397  0.948  0.849  1.0
  O  O39  1  0.676  0.856  0.292  1.0
  O  O40  1  0.876  0.375  0.466  1.0
  O  O41  1  0.810  0.338  0.661  1.0
  O  O42  1  0.976  0.712  0.160  1.0
  O  O43  1  0.782  0.693  0.709  1.0
  O  O44  1  0.740  0.679  0.928  1.0
  O  O45  1  0.977  0.965  0.783  1.0
[/CIF]
.