The structure described by Li2VCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. 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 VO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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. The corner-sharing octahedral tilt angles range from 44-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   6.401
_cell_length_c   8.621
_cell_angle_alpha   89.999
_cell_angle_beta   93.898
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.051
_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  0.266  0.250  0.060  1.0
  C  C1  1  0.734  0.750  0.940  1.0
  Li  Li2  1  0.226  0.997  0.783  1.0
  Li  Li3  1  0.774  0.003  0.217  1.0
  Li  Li4  1  0.774  0.497  0.217  1.0
  Li  Li5  1  0.226  0.503  0.783  1.0
  O  O6  1  0.030  0.250  0.116  1.0
  O  O7  1  0.970  0.750  0.884  1.0
  O  O8  1  0.533  0.750  0.831  1.0
  O  O9  1  0.467  0.250  0.169  1.0
  O  O10  1  0.831  0.250  0.416  1.0
  O  O11  1  0.169  0.750  0.584  1.0
  O  O12  1  0.586  0.750  0.437  1.0
  O  O13  1  0.414  0.250  0.563  1.0
  O  O14  1  0.303  0.250  0.916  1.0
  O  O15  1  0.697  0.750  0.084  1.0
  O  O16  1  0.830  0.058  0.675  1.0
  O  O17  1  0.830  0.442  0.675  1.0
  O  O18  1  0.170  0.558  0.325  1.0
  O  O19  1  0.170  0.942  0.325  1.0
  P  P20  1  0.278  0.750  0.419  1.0
  P  P21  1  0.722  0.250  0.581  1.0
  V  V22  1  0.205  0.250  0.344  1.0
  V  V23  1  0.795  0.750  0.656  1.0
[/CIF]
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The structure described by Li2VCPO7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. 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 VO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. 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. The corner-sharing octahedral tilt angles range from 44-58°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one C(1) atom to form distorted edge-sharing OLi2VC tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Li2VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.032
_cell_length_b   6.401
_cell_length_c   8.621
_cell_angle_alpha   89.999
_cell_angle_beta   93.898
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.051
_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  0.266  0.250  0.060  1.0
  C  C1  1  0.734  0.750  0.940  1.0
  Li  Li2  1  0.226  0.997  0.783  1.0
  Li  Li3  1  0.774  0.003  0.217  1.0
  Li  Li4  1  0.774  0.497  0.217  1.0
  Li  Li5  1  0.226  0.503  0.783  1.0
  O  O6  1  0.030  0.250  0.116  1.0
  O  O7  1  0.970  0.750  0.884  1.0
  O  O8  1  0.533  0.750  0.831  1.0
  O  O9  1  0.467  0.250  0.169  1.0
  O  O10  1  0.831  0.250  0.416  1.0
  O  O11  1  0.169  0.750  0.584  1.0
  O  O12  1  0.586  0.750  0.437  1.0
  O  O13  1  0.414  0.250  0.563  1.0
  O  O14  1  0.303  0.250  0.916  1.0
  O  O15  1  0.697  0.750  0.084  1.0
  O  O16  1  0.830  0.058  0.675  1.0
  O  O17  1  0.830  0.442  0.675  1.0
  O  O18  1  0.170  0.558  0.325  1.0
  O  O19  1  0.170  0.942  0.325  1.0
  P  P20  1  0.278  0.750  0.419  1.0
  P  P21  1  0.722  0.250  0.581  1.0
  V  V22  1  0.205  0.250  0.344  1.0
  V  V23  1  0.795  0.750  0.656  1.0
[/CIF]
.