The material structure described by LiVP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. 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 corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-57°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. 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 P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   8.463
_cell_length_c   13.493
_cell_angle_alpha   63.566
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.837
_cell_formula_units_Z   4
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  0.231  0.591  0.797  1.0
  Li  Li1  1  0.731  0.409  0.703  1.0
  Li  Li2  1  0.269  0.591  0.297  1.0
  Li  Li3  1  0.769  0.409  0.203  1.0
  V  V4  1  0.264  0.732  0.531  1.0
  V  V5  1  0.764  0.268  0.969  1.0
  V  V6  1  0.236  0.732  0.031  1.0
  V  V7  1  0.736  0.268  0.469  1.0
  P  P8  1  0.745  0.827  0.646  1.0
  P  P9  1  0.268  0.304  0.116  1.0
  P  P10  1  0.245  0.173  0.854  1.0
  P  P11  1  0.232  0.304  0.616  1.0
  P  P12  1  0.768  0.696  0.384  1.0
  P  P13  1  0.755  0.827  0.146  1.0
  P  P14  1  0.732  0.696  0.884  1.0
  P  P15  1  0.255  0.173  0.354  1.0
  O  O16  1  0.464  0.751  0.659  1.0
  O  O17  1  0.949  0.694  0.642  1.0
  O  O18  1  0.845  0.527  0.882  1.0
  O  O19  1  0.567  0.316  0.094  1.0
  O  O20  1  0.207  0.154  0.241  1.0
  O  O21  1  0.114  0.245  0.043  1.0
  O  O22  1  0.217  0.988  0.444  1.0
  O  O23  1  0.345  0.473  0.618  1.0
  O  O24  1  0.449  0.306  0.858  1.0
  O  O25  1  0.964  0.249  0.841  1.0
  O  O26  1  0.717  0.012  0.056  1.0
  O  O27  1  0.933  0.316  0.594  1.0
  O  O28  1  0.614  0.755  0.457  1.0
  O  O29  1  0.707  0.846  0.259  1.0
  O  O30  1  0.293  0.154  0.741  1.0
  O  O31  1  0.386  0.245  0.543  1.0
  O  O32  1  0.067  0.684  0.406  1.0
  O  O33  1  0.283  0.988  0.944  1.0
  O  O34  1  0.036  0.751  0.159  1.0
  O  O35  1  0.551  0.694  0.142  1.0
  O  O36  1  0.655  0.527  0.382  1.0
  O  O37  1  0.783  0.012  0.556  1.0
  O  O38  1  0.886  0.755  0.957  1.0
  O  O39  1  0.793  0.846  0.759  1.0
  O  O40  1  0.433  0.684  0.906  1.0
  O  O41  1  0.155  0.473  0.118  1.0
  O  O42  1  0.051  0.306  0.358  1.0
  O  O43  1  0.536  0.249  0.341  1.0
[/CIF]
.
The material structure described by LiVP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(1), one O(3), one O(4), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with three equivalent V(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. 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 corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, corners with three equivalent Li(1)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-57°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 37-54°. 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 P(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), one V(1), and one P(1) atom to form distorted corner-sharing OLi2VP trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   8.463
_cell_length_c   13.493
_cell_angle_alpha   63.566
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.837
_cell_formula_units_Z   4
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  0.231  0.591  0.797  1.0
  Li  Li1  1  0.731  0.409  0.703  1.0
  Li  Li2  1  0.269  0.591  0.297  1.0
  Li  Li3  1  0.769  0.409  0.203  1.0
  V  V4  1  0.264  0.732  0.531  1.0
  V  V5  1  0.764  0.268  0.969  1.0
  V  V6  1  0.236  0.732  0.031  1.0
  V  V7  1  0.736  0.268  0.469  1.0
  P  P8  1  0.745  0.827  0.646  1.0
  P  P9  1  0.268  0.304  0.116  1.0
  P  P10  1  0.245  0.173  0.854  1.0
  P  P11  1  0.232  0.304  0.616  1.0
  P  P12  1  0.768  0.696  0.384  1.0
  P  P13  1  0.755  0.827  0.146  1.0
  P  P14  1  0.732  0.696  0.884  1.0
  P  P15  1  0.255  0.173  0.354  1.0
  O  O16  1  0.464  0.751  0.659  1.0
  O  O17  1  0.949  0.694  0.642  1.0
  O  O18  1  0.845  0.527  0.882  1.0
  O  O19  1  0.567  0.316  0.094  1.0
  O  O20  1  0.207  0.154  0.241  1.0
  O  O21  1  0.114  0.245  0.043  1.0
  O  O22  1  0.217  0.988  0.444  1.0
  O  O23  1  0.345  0.473  0.618  1.0
  O  O24  1  0.449  0.306  0.858  1.0
  O  O25  1  0.964  0.249  0.841  1.0
  O  O26  1  0.717  0.012  0.056  1.0
  O  O27  1  0.933  0.316  0.594  1.0
  O  O28  1  0.614  0.755  0.457  1.0
  O  O29  1  0.707  0.846  0.259  1.0
  O  O30  1  0.293  0.154  0.741  1.0
  O  O31  1  0.386  0.245  0.543  1.0
  O  O32  1  0.067  0.684  0.406  1.0
  O  O33  1  0.283  0.988  0.944  1.0
  O  O34  1  0.036  0.751  0.159  1.0
  O  O35  1  0.551  0.694  0.142  1.0
  O  O36  1  0.655  0.527  0.382  1.0
  O  O37  1  0.783  0.012  0.556  1.0
  O  O38  1  0.886  0.755  0.957  1.0
  O  O39  1  0.793  0.846  0.759  1.0
  O  O40  1  0.433  0.684  0.906  1.0
  O  O41  1  0.155  0.473  0.118  1.0
  O  O42  1  0.051  0.306  0.358  1.0
  O  O43  1  0.536  0.249  0.341  1.0
[/CIF]
.