The crystal structure described by LiVP2HO8 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(3), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-48°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-47°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(13) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one P(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one P(3), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one P(4), and one H(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(2), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   7.474
_cell_length_c   7.992
_cell_angle_alpha   89.866
_cell_angle_beta   89.934
_cell_angle_gamma   74.436
_symmetry_Int_Tables_number   1
_cell_volume   279.689
_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  0.397  0.149  0.869  1.0
  Li  Li1  1  0.908  0.647  0.633  1.0
  V  V2  1  0.492  0.002  0.491  1.0
  V  V3  1  0.989  0.507  0.010  1.0
  P  P4  1  0.135  0.733  0.349  1.0
  P  P5  1  0.369  0.769  0.848  1.0
  P  P6  1  0.628  0.238  0.156  1.0
  P  P7  1  0.870  0.264  0.654  1.0
  H  H8  1  0.514  0.495  0.504  1.0
  H  H9  1  0.965  0.010  0.010  1.0
  O  O10  1  0.133  0.143  0.555  1.0
  O  O11  1  0.045  0.683  0.175  1.0
  O  O12  1  0.157  0.646  0.830  1.0
  O  O13  1  0.261  0.560  0.456  1.0
  O  O14  1  0.360  0.345  0.052  1.0
  O  O15  1  0.541  0.184  0.328  1.0
  O  O16  1  0.239  0.949  0.940  1.0
  O  O17  1  0.331  0.864  0.329  1.0
  O  O18  1  0.653  0.147  0.673  1.0
  O  O19  1  0.748  0.061  0.048  1.0
  O  O20  1  0.489  0.809  0.677  1.0
  O  O21  1  0.634  0.646  0.946  1.0
  O  O22  1  0.742  0.447  0.560  1.0
  O  O23  1  0.832  0.362  0.172  1.0
  O  O24  1  0.987  0.313  0.823  1.0
  O  O25  1  0.861  0.844  0.449  1.0
[/CIF]
.
The crystal structure described by LiVP2HO8 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(15), one O(5), one O(7), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. In the second Li site, Li(2) is bonded to one O(11), one O(13), one O(16), one O(3), and one O(4) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 77°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(16), one O(6), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(12), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-48°. In the second P site, P(2) is bonded to one O(11), one O(12), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid, and corners with two equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-50°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-47°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 15-51°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(13) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(10) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(1) and one P(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1), one P(2), and one H(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), one P(3), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(2), one V(1), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(2) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(2), one P(4), and one H(1) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Li(2), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiVP2HO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.861
_cell_length_b   7.474
_cell_length_c   7.992
_cell_angle_alpha   89.866
_cell_angle_beta   89.934
_cell_angle_gamma   74.436
_symmetry_Int_Tables_number   1
_cell_volume   279.689
_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  0.397  0.149  0.869  1.0
  Li  Li1  1  0.908  0.647  0.633  1.0
  V  V2  1  0.492  0.002  0.491  1.0
  V  V3  1  0.989  0.507  0.010  1.0
  P  P4  1  0.135  0.733  0.349  1.0
  P  P5  1  0.369  0.769  0.848  1.0
  P  P6  1  0.628  0.238  0.156  1.0
  P  P7  1  0.870  0.264  0.654  1.0
  H  H8  1  0.514  0.495  0.504  1.0
  H  H9  1  0.965  0.010  0.010  1.0
  O  O10  1  0.133  0.143  0.555  1.0
  O  O11  1  0.045  0.683  0.175  1.0
  O  O12  1  0.157  0.646  0.830  1.0
  O  O13  1  0.261  0.560  0.456  1.0
  O  O14  1  0.360  0.345  0.052  1.0
  O  O15  1  0.541  0.184  0.328  1.0
  O  O16  1  0.239  0.949  0.940  1.0
  O  O17  1  0.331  0.864  0.329  1.0
  O  O18  1  0.653  0.147  0.673  1.0
  O  O19  1  0.748  0.061  0.048  1.0
  O  O20  1  0.489  0.809  0.677  1.0
  O  O21  1  0.634  0.646  0.946  1.0
  O  O22  1  0.742  0.447  0.560  1.0
  O  O23  1  0.832  0.362  0.172  1.0
  O  O24  1  0.987  0.313  0.823  1.0
  O  O25  1  0.861  0.844  0.449  1.0
[/CIF]
.