The material structure described by Li3VCPO7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-84°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-64°. There are seven 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 C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with four equivalent O(7)Li2VP tetrahedra,  a cornercorner with one O(5)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with three equivalent O(5)Li3P trigonal pyramids and corners with four equivalent O(6)Li2VP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.908
_cell_length_b   6.524
_cell_length_c   8.638
_cell_angle_alpha   90.004
_cell_angle_beta   91.561
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   276.490
_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  0.235  0.210  0.038  1.0
  C  C1  1  0.765  0.710  0.962  1.0
  Li  Li2  1  0.275  0.712  0.117  1.0
  Li  Li3  1  0.725  0.212  0.883  1.0
  Li  Li4  1  0.790  0.552  0.303  1.0
  Li  Li5  1  0.210  0.052  0.697  1.0
  Li  Li6  1  0.228  0.270  0.367  1.0
  Li  Li7  1  0.772  0.770  0.633  1.0
  O  O8  1  0.975  0.189  0.060  1.0
  O  O9  1  0.025  0.689  0.940  1.0
  O  O10  1  0.684  0.738  0.106  1.0
  O  O11  1  0.316  0.238  0.894  1.0
  O  O12  1  0.412  0.206  0.149  1.0
  O  O13  1  0.588  0.707  0.851  1.0
  O  O14  1  0.158  0.952  0.334  1.0
  O  O15  1  0.841  0.452  0.666  1.0
  O  O16  1  0.198  0.574  0.326  1.0
  O  O17  1  0.802  0.074  0.674  1.0
  O  O18  1  0.794  0.269  0.408  1.0
  O  O19  1  0.206  0.769  0.592  1.0
  O  O20  1  0.606  0.789  0.414  1.0
  O  O21  1  0.394  0.289  0.586  1.0
  P  P22  1  0.289  0.768  0.419  1.0
  P  P23  1  0.711  0.267  0.581  1.0
  V  V24  1  0.763  0.021  0.246  1.0
  V  V25  1  0.237  0.521  0.754  1.0
[/CIF]
.
The material structure described by Li3VCPO7 crystallizes in the monoclinic P2_1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(4), and one O(5) atom. In the second Li site, Li(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 67°. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form LiO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 60-84°. V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Li(3)O5 trigonal bipyramid. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent Li(2)O4 tetrahedra, and corners with four equivalent Li(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-64°. There are seven 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 C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one V(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), and one P(1) atom to form a mixture of distorted corner and edge-sharing OLi3P trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one V(1), and one P(1) atom to form distorted OLi2VP trigonal pyramids that share corners with four equivalent O(7)Li2VP tetrahedra,  a cornercorner with one O(5)Li3P trigonal pyramid, and  an edgeedge with one O(5)Li3P trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one V(1), and one P(1) atom to form distorted OLi2VP tetrahedra that share corners with three equivalent O(5)Li3P trigonal pyramids and corners with four equivalent O(6)Li2VP trigonal pyramids. is represented by the CIF file [CIF]
data_Li3VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.908
_cell_length_b   6.524
_cell_length_c   8.638
_cell_angle_alpha   90.004
_cell_angle_beta   91.561
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   276.490
_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  0.235  0.210  0.038  1.0
  C  C1  1  0.765  0.710  0.962  1.0
  Li  Li2  1  0.275  0.712  0.117  1.0
  Li  Li3  1  0.725  0.212  0.883  1.0
  Li  Li4  1  0.790  0.552  0.303  1.0
  Li  Li5  1  0.210  0.052  0.697  1.0
  Li  Li6  1  0.228  0.270  0.367  1.0
  Li  Li7  1  0.772  0.770  0.633  1.0
  O  O8  1  0.975  0.189  0.060  1.0
  O  O9  1  0.025  0.689  0.940  1.0
  O  O10  1  0.684  0.738  0.106  1.0
  O  O11  1  0.316  0.238  0.894  1.0
  O  O12  1  0.412  0.206  0.149  1.0
  O  O13  1  0.588  0.707  0.851  1.0
  O  O14  1  0.158  0.952  0.334  1.0
  O  O15  1  0.841  0.452  0.666  1.0
  O  O16  1  0.198  0.574  0.326  1.0
  O  O17  1  0.802  0.074  0.674  1.0
  O  O18  1  0.794  0.269  0.408  1.0
  O  O19  1  0.206  0.769  0.592  1.0
  O  O20  1  0.606  0.789  0.414  1.0
  O  O21  1  0.394  0.289  0.586  1.0
  P  P22  1  0.289  0.768  0.419  1.0
  P  P23  1  0.711  0.267  0.581  1.0
  V  V24  1  0.763  0.021  0.246  1.0
  V  V25  1  0.237  0.521  0.754  1.0
[/CIF]
.