The material described by Li3VCPO7 crystallizes in the monoclinic P2_1/m 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(5), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. P(1) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one V(1), and one C(1) atom to form distorted OLi2VC trigonal pyramids that share corners with three equivalent O(4)Li2VP tetrahedra, corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(3)Li2VP trigonal pyramid, corners with four equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(3)Li2VP trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with four equivalent O(4)Li2VP tetrahedra,  a cornercorner with one O(1)Li2VC trigonal pyramid, corners with two equivalent O(6)Li2VP trigonal pyramids,  an edgeedge with one O(1)Li2VC trigonal pyramid, and edges with two equivalent O(6)Li2VP trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with three equivalent O(1)Li2VC trigonal pyramids, corners with four equivalent O(3)Li2VP trigonal pyramids, corners with six equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(3)Li2VP trigonal pyramids, corners with three equivalent O(1)Li2VC trigonal pyramids, corners with four equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(4)Li2VP tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with three equivalent O(4)Li2VP tetrahedra,  a cornercorner with one O(3)Li2VP trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with two equivalent O(1)Li2VC trigonal pyramids,  an edgeedge with one O(3)Li2VP trigonal pyramid, and  an edgeedge with one O(6)Li2VP trigonal pyramid. is represented by the CIF file [CIF]
data_Li3VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   6.610
_cell_length_c   8.532
_cell_angle_alpha   90.000
_cell_angle_beta   96.562
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.364
_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
  C  C0  1  0.329  0.250  0.036  1.0
  C  C1  1  0.671  0.750  0.964  1.0
  Li  Li2  1  0.204  0.750  0.105  1.0
  Li  Li3  1  0.796  0.250  0.895  1.0
  Li  Li4  1  0.267  0.022  0.721  1.0
  Li  Li5  1  0.733  0.978  0.279  1.0
  Li  Li6  1  0.733  0.522  0.279  1.0
  Li  Li7  1  0.267  0.478  0.721  1.0
  O  O8  1  0.487  0.750  0.842  1.0
  O  O9  1  0.513  0.250  0.158  1.0
  O  O10  1  0.080  0.250  0.066  1.0
  O  O11  1  0.920  0.750  0.934  1.0
  O  O12  1  0.832  0.250  0.426  1.0
  O  O13  1  0.168  0.750  0.574  1.0
  O  O14  1  0.583  0.750  0.433  1.0
  O  O15  1  0.417  0.250  0.567  1.0
  O  O16  1  0.393  0.250  0.894  1.0
  O  O17  1  0.607  0.750  0.106  1.0
  O  O18  1  0.838  0.433  0.694  1.0
  O  O19  1  0.838  0.067  0.694  1.0
  O  O20  1  0.162  0.567  0.306  1.0
  O  O21  1  0.162  0.933  0.306  1.0
  P  P22  1  0.269  0.750  0.410  1.0
  P  P23  1  0.731  0.250  0.590  1.0
  V  V24  1  0.209  0.250  0.326  1.0
  V  V25  1  0.791  0.750  0.674  1.0
[/CIF]
.
The material described by Li3VCPO7 crystallizes in the monoclinic P2_1/m 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(5), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 66-88°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra, corners with four equivalent Li(2)O5 trigonal bipyramids, and edges with two equivalent Li(2)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. P(1) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and corners with six equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 41-62°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), one V(1), and one C(1) atom to form distorted OLi2VC trigonal pyramids that share corners with three equivalent O(4)Li2VP tetrahedra, corners with three equivalent O(5)Li3C tetrahedra,  a cornercorner with one O(3)Li2VP trigonal pyramid, corners with four equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(3)Li2VP trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with four equivalent O(4)Li2VP tetrahedra,  a cornercorner with one O(1)Li2VC trigonal pyramid, corners with two equivalent O(6)Li2VP trigonal pyramids,  an edgeedge with one O(1)Li2VC trigonal pyramid, and edges with two equivalent O(6)Li2VP trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(2), one V(1), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with three equivalent O(1)Li2VC trigonal pyramids, corners with four equivalent O(3)Li2VP trigonal pyramids, corners with six equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(5)Li3C tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form OLi3C tetrahedra that share corners with two equivalent O(3)Li2VP trigonal pyramids, corners with three equivalent O(1)Li2VC trigonal pyramids, corners with four equivalent O(6)Li2VP trigonal pyramids, and  an edgeedge with one O(4)Li2VP tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with two equivalent O(5)Li3C tetrahedra, corners with three equivalent O(4)Li2VP tetrahedra,  a cornercorner with one O(3)Li2VP trigonal pyramid,  a cornercorner with one O(6)Li2VP trigonal pyramid, corners with two equivalent O(1)Li2VC trigonal pyramids,  an edgeedge with one O(3)Li2VP trigonal pyramid, and  an edgeedge with one O(6)Li2VP trigonal pyramid. is represented by the CIF file [CIF]
data_Li3VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   6.610
_cell_length_c   8.532
_cell_angle_alpha   90.000
_cell_angle_beta   96.562
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.364
_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
  C  C0  1  0.329  0.250  0.036  1.0
  C  C1  1  0.671  0.750  0.964  1.0
  Li  Li2  1  0.204  0.750  0.105  1.0
  Li  Li3  1  0.796  0.250  0.895  1.0
  Li  Li4  1  0.267  0.022  0.721  1.0
  Li  Li5  1  0.733  0.978  0.279  1.0
  Li  Li6  1  0.733  0.522  0.279  1.0
  Li  Li7  1  0.267  0.478  0.721  1.0
  O  O8  1  0.487  0.750  0.842  1.0
  O  O9  1  0.513  0.250  0.158  1.0
  O  O10  1  0.080  0.250  0.066  1.0
  O  O11  1  0.920  0.750  0.934  1.0
  O  O12  1  0.832  0.250  0.426  1.0
  O  O13  1  0.168  0.750  0.574  1.0
  O  O14  1  0.583  0.750  0.433  1.0
  O  O15  1  0.417  0.250  0.567  1.0
  O  O16  1  0.393  0.250  0.894  1.0
  O  O17  1  0.607  0.750  0.106  1.0
  O  O18  1  0.838  0.433  0.694  1.0
  O  O19  1  0.838  0.067  0.694  1.0
  O  O20  1  0.162  0.567  0.306  1.0
  O  O21  1  0.162  0.933  0.306  1.0
  P  P22  1  0.269  0.750  0.410  1.0
  P  P23  1  0.731  0.250  0.590  1.0
  V  V24  1  0.209  0.250  0.326  1.0
  V  V25  1  0.791  0.750  0.674  1.0
[/CIF]
.