The crystal structure described by LiVP3HO10 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   8.697
_cell_length_c   11.826
_cell_angle_alpha   53.837
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.142
_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  0.604  0.500  0.750  1.0
  Li  Li1  1  0.396  0.500  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.008  0.735  0.531  1.0
  P  P5  1  0.762  0.000  0.250  1.0
  P  P6  1  0.008  0.265  0.969  1.0
  P  P7  1  0.992  0.735  0.031  1.0
  P  P8  1  0.238  0.000  0.750  1.0
  P  P9  1  0.992  0.265  0.469  1.0
  H  H10  1  0.000  0.500  0.500  1.0
  H  H11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.818  0.189  0.913  1.0
  O  O13  1  0.305  0.243  0.949  1.0
  O  O14  1  0.936  0.529  0.586  1.0
  O  O15  1  0.936  0.471  0.914  1.0
  O  O16  1  0.596  0.915  0.193  1.0
  O  O17  1  0.968  0.849  0.363  1.0
  O  O18  1  0.305  0.757  0.551  1.0
  O  O19  1  0.818  0.811  0.587  1.0
  O  O20  1  0.968  0.151  0.137  1.0
  O  O21  1  0.596  0.085  0.307  1.0
  O  O22  1  0.404  0.915  0.693  1.0
  O  O23  1  0.032  0.849  0.863  1.0
  O  O24  1  0.182  0.189  0.413  1.0
  O  O25  1  0.695  0.243  0.449  1.0
  O  O26  1  0.032  0.151  0.637  1.0
  O  O27  1  0.404  0.085  0.807  1.0
  O  O28  1  0.064  0.529  0.086  1.0
  O  O29  1  0.064  0.471  0.414  1.0
  O  O30  1  0.695  0.757  0.051  1.0
  O  O31  1  0.182  0.811  0.087  1.0
[/CIF]
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The crystal structure described by LiVP3HO10 crystallizes in the monoclinic P2/c space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent P(1)O4 tetrahedra. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(1)O6 pentagonal pyramid,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to two equivalent O(4) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. H(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(1) 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(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one P(1), and one H(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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF card [CIF]
data_LiVP3HO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.987
_cell_length_b   8.697
_cell_length_c   11.826
_cell_angle_alpha   53.837
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   414.142
_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  0.604  0.500  0.750  1.0
  Li  Li1  1  0.396  0.500  0.250  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.500  0.000  0.500  1.0
  P  P4  1  0.008  0.735  0.531  1.0
  P  P5  1  0.762  0.000  0.250  1.0
  P  P6  1  0.008  0.265  0.969  1.0
  P  P7  1  0.992  0.735  0.031  1.0
  P  P8  1  0.238  0.000  0.750  1.0
  P  P9  1  0.992  0.265  0.469  1.0
  H  H10  1  0.000  0.500  0.500  1.0
  H  H11  1  0.000  0.500  0.000  1.0
  O  O12  1  0.818  0.189  0.913  1.0
  O  O13  1  0.305  0.243  0.949  1.0
  O  O14  1  0.936  0.529  0.586  1.0
  O  O15  1  0.936  0.471  0.914  1.0
  O  O16  1  0.596  0.915  0.193  1.0
  O  O17  1  0.968  0.849  0.363  1.0
  O  O18  1  0.305  0.757  0.551  1.0
  O  O19  1  0.818  0.811  0.587  1.0
  O  O20  1  0.968  0.151  0.137  1.0
  O  O21  1  0.596  0.085  0.307  1.0
  O  O22  1  0.404  0.915  0.693  1.0
  O  O23  1  0.032  0.849  0.863  1.0
  O  O24  1  0.182  0.189  0.413  1.0
  O  O25  1  0.695  0.243  0.449  1.0
  O  O26  1  0.032  0.151  0.637  1.0
  O  O27  1  0.404  0.085  0.807  1.0
  O  O28  1  0.064  0.529  0.086  1.0
  O  O29  1  0.064  0.471  0.414  1.0
  O  O30  1  0.695  0.757  0.051  1.0
  O  O31  1  0.182  0.811  0.087  1.0
[/CIF]
.