The material structure described by LiVP2O7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one V(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped 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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   8.779
_cell_length_c   6.929
_cell_angle_alpha   89.998
_cell_angle_beta   110.167
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   300.419
_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  0.152  0.471  0.756  1.0
  Li  Li1  1  0.848  0.971  0.244  1.0
  V  V2  1  0.211  0.850  0.670  1.0
  V  V3  1  0.789  0.350  0.330  1.0
  P  P4  1  0.374  0.196  0.547  1.0
  P  P5  1  0.203  0.780  0.041  1.0
  P  P6  1  0.797  0.280  0.959  1.0
  P  P7  1  0.626  0.696  0.453  1.0
  O  O8  1  0.011  0.314  0.871  1.0
  O  O9  1  0.136  0.673  0.853  1.0
  O  O10  1  0.231  0.042  0.514  1.0
  O  O11  1  0.176  0.334  0.507  1.0
  O  O12  1  0.435  0.710  0.576  1.0
  O  O13  1  0.685  0.422  0.046  1.0
  O  O14  1  0.541  0.201  0.787  1.0
  O  O15  1  0.459  0.701  0.213  1.0
  O  O16  1  0.315  0.922  0.954  1.0
  O  O17  1  0.565  0.210  0.424  1.0
  O  O18  1  0.824  0.834  0.493  1.0
  O  O19  1  0.769  0.542  0.486  1.0
  O  O20  1  0.864  0.173  0.147  1.0
  O  O21  1  0.989  0.814  0.129  1.0
[/CIF]
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The material structure described by LiVP2O7 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one V(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the sixth O site, O(6) is bonded in an L-shaped 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 P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.261
_cell_length_b   8.779
_cell_length_c   6.929
_cell_angle_alpha   89.998
_cell_angle_beta   110.167
_cell_angle_gamma   90.004
_symmetry_Int_Tables_number   1
_cell_volume   300.419
_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  0.152  0.471  0.756  1.0
  Li  Li1  1  0.848  0.971  0.244  1.0
  V  V2  1  0.211  0.850  0.670  1.0
  V  V3  1  0.789  0.350  0.330  1.0
  P  P4  1  0.374  0.196  0.547  1.0
  P  P5  1  0.203  0.780  0.041  1.0
  P  P6  1  0.797  0.280  0.959  1.0
  P  P7  1  0.626  0.696  0.453  1.0
  O  O8  1  0.011  0.314  0.871  1.0
  O  O9  1  0.136  0.673  0.853  1.0
  O  O10  1  0.231  0.042  0.514  1.0
  O  O11  1  0.176  0.334  0.507  1.0
  O  O12  1  0.435  0.710  0.576  1.0
  O  O13  1  0.685  0.422  0.046  1.0
  O  O14  1  0.541  0.201  0.787  1.0
  O  O15  1  0.459  0.701  0.213  1.0
  O  O16  1  0.315  0.922  0.954  1.0
  O  O17  1  0.565  0.210  0.424  1.0
  O  O18  1  0.824  0.834  0.493  1.0
  O  O19  1  0.769  0.542  0.486  1.0
  O  O20  1  0.864  0.173  0.147  1.0
  O  O21  1  0.989  0.814  0.129  1.0
[/CIF]
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