The crystal structure described by LiV2P4(HO8)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(14), one O(15), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(4)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(12), one O(6), one O(8), and one O(9) 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, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(3), and one O(5) 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, and  a cornercorner 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-44°. 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(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-52°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-43°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) 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  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(15) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), 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 bent 120 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one P(4), and one H(2) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one V(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.906
_cell_length_b   7.359
_cell_length_c   9.762
_cell_angle_alpha   75.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.057
_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  0.370  0.899  0.825  1.0
  Li  Li1  1  0.870  0.101  0.175  1.0
  V  V2  1  0.506  0.261  0.621  1.0
  V  V3  1  0.006  0.739  0.379  1.0
  V  V4  1  0.495  0.257  0.125  1.0
  V  V5  1  0.995  0.743  0.875  1.0
  P  P6  1  0.349  0.516  0.812  1.0
  P  P7  1  0.856  0.476  0.693  1.0
  P  P8  1  0.150  0.018  0.564  1.0
  P  P9  1  0.650  0.982  0.436  1.0
  P  P10  1  0.356  0.524  0.307  1.0
  P  P11  1  0.849  0.484  0.188  1.0
  P  P12  1  0.156  0.012  0.062  1.0
  P  P13  1  0.656  0.988  0.938  1.0
  H  H14  1  0.510  0.759  0.608  1.0
  H  H15  1  0.010  0.241  0.392  1.0
  H  H16  1  0.508  0.765  0.106  1.0
  H  H17  1  0.008  0.235  0.894  1.0
  O  O18  1  0.555  0.097  0.805  1.0
  O  O19  1  0.170  0.559  0.854  1.0
  O  O20  1  0.826  0.612  0.787  1.0
  O  O21  1  0.443  0.695  0.745  1.0
  O  O22  1  0.057  0.903  0.697  1.0
  O  O23  1  0.328  0.065  0.614  1.0
  O  O24  1  0.952  0.301  0.756  1.0
  O  O25  1  0.343  0.383  0.709  1.0
  O  O26  1  0.661  0.112  0.541  1.0
  O  O27  1  0.058  0.201  0.497  1.0
  O  O28  1  0.675  0.422  0.643  1.0
  O  O29  1  0.941  0.597  0.553  1.0
  O  O30  1  0.558  0.799  0.503  1.0
  O  O31  1  0.161  0.888  0.459  1.0
  O  O32  1  0.828  0.935  0.386  1.0
  O  O33  1  0.557  0.097  0.303  1.0
  O  O34  1  0.441  0.403  0.447  1.0
  O  O35  1  0.175  0.578  0.357  1.0
  O  O36  1  0.843  0.617  0.291  1.0
  O  O37  1  0.452  0.699  0.244  1.0
  O  O38  1  0.055  0.903  0.195  1.0
  O  O39  1  0.329  0.069  0.104  1.0
  O  O40  1  0.943  0.305  0.255  1.0
  O  O41  1  0.326  0.388  0.213  1.0
  O  O42  1  0.676  0.113  0.044  1.0
  O  O43  1  0.044  0.186  0.003  1.0
  O  O44  1  0.670  0.441  0.146  1.0
  O  O45  1  0.944  0.598  0.054  1.0
  O  O46  1  0.544  0.814  0.997  1.0
  O  O47  1  0.176  0.887  0.956  1.0
  O  O48  1  0.829  0.931  0.896  1.0
  O  O49  1  0.444  0.402  0.946  1.0
[/CIF]
.
The crystal structure described by LiV2P4(HO8)2 crystallizes in the monoclinic P2_1 space group. Li(1) is bonded to one O(1), one O(14), one O(15), one O(4), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra, and  an edgeedge with one P(4)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(12), one O(6), one O(8), and one O(9) 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, and  an edgeedge with one Li(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(3), and one O(5) 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, and  a cornercorner 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-44°. 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(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-52°. In the third P site, P(3) is bonded to one O(10), one O(5), one O(6), 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, and  a cornercorner with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 14-43°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) 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  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 20-50°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(10) and one O(4) atom. In the second H site, H(2) is bonded in a linear geometry to one O(15) and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Li(1), 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 bent 120 degrees geometry to one V(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one P(1), and one H(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one H(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one H(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one V(1) and one P(2) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one P(4), and one H(2) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one V(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV2P4(HO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.906
_cell_length_b   7.359
_cell_length_c   9.762
_cell_angle_alpha   75.563
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   550.057
_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  0.370  0.899  0.825  1.0
  Li  Li1  1  0.870  0.101  0.175  1.0
  V  V2  1  0.506  0.261  0.621  1.0
  V  V3  1  0.006  0.739  0.379  1.0
  V  V4  1  0.495  0.257  0.125  1.0
  V  V5  1  0.995  0.743  0.875  1.0
  P  P6  1  0.349  0.516  0.812  1.0
  P  P7  1  0.856  0.476  0.693  1.0
  P  P8  1  0.150  0.018  0.564  1.0
  P  P9  1  0.650  0.982  0.436  1.0
  P  P10  1  0.356  0.524  0.307  1.0
  P  P11  1  0.849  0.484  0.188  1.0
  P  P12  1  0.156  0.012  0.062  1.0
  P  P13  1  0.656  0.988  0.938  1.0
  H  H14  1  0.510  0.759  0.608  1.0
  H  H15  1  0.010  0.241  0.392  1.0
  H  H16  1  0.508  0.765  0.106  1.0
  H  H17  1  0.008  0.235  0.894  1.0
  O  O18  1  0.555  0.097  0.805  1.0
  O  O19  1  0.170  0.559  0.854  1.0
  O  O20  1  0.826  0.612  0.787  1.0
  O  O21  1  0.443  0.695  0.745  1.0
  O  O22  1  0.057  0.903  0.697  1.0
  O  O23  1  0.328  0.065  0.614  1.0
  O  O24  1  0.952  0.301  0.756  1.0
  O  O25  1  0.343  0.383  0.709  1.0
  O  O26  1  0.661  0.112  0.541  1.0
  O  O27  1  0.058  0.201  0.497  1.0
  O  O28  1  0.675  0.422  0.643  1.0
  O  O29  1  0.941  0.597  0.553  1.0
  O  O30  1  0.558  0.799  0.503  1.0
  O  O31  1  0.161  0.888  0.459  1.0
  O  O32  1  0.828  0.935  0.386  1.0
  O  O33  1  0.557  0.097  0.303  1.0
  O  O34  1  0.441  0.403  0.447  1.0
  O  O35  1  0.175  0.578  0.357  1.0
  O  O36  1  0.843  0.617  0.291  1.0
  O  O37  1  0.452  0.699  0.244  1.0
  O  O38  1  0.055  0.903  0.195  1.0
  O  O39  1  0.329  0.069  0.104  1.0
  O  O40  1  0.943  0.305  0.255  1.0
  O  O41  1  0.326  0.388  0.213  1.0
  O  O42  1  0.676  0.113  0.044  1.0
  O  O43  1  0.044  0.186  0.003  1.0
  O  O44  1  0.670  0.441  0.146  1.0
  O  O45  1  0.944  0.598  0.054  1.0
  O  O46  1  0.544  0.814  0.997  1.0
  O  O47  1  0.176  0.887  0.956  1.0
  O  O48  1  0.829  0.931  0.896  1.0
  O  O49  1  0.444  0.402  0.946  1.0
[/CIF]
.