The compound described by LiV2P5O16 crystallizes in the monoclinic Pc space group. The structure consists of two 7439-93-2 atoms inside a V2P5O16 framework. In the V2P5O16 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(13), one O(14), one O(15), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-61°. In the third P site, P(3) is bonded to one O(11), one O(2), one O(3), and one O(5) 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 P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-46°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), 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  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. In the fifth P site, P(5) is bonded to one O(15), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a linear 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 V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiV2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   7.590
_cell_length_c   10.363
_cell_angle_alpha   68.448
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   696.229
_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  0.802  0.999  0.752  1.0
  Li  Li1  1  0.198  0.999  0.252  1.0
  V  V2  1  0.143  0.378  0.468  1.0
  V  V3  1  0.370  0.927  0.863  1.0
  V  V4  1  0.630  0.927  0.363  1.0
  V  V5  1  0.857  0.378  0.968  1.0
  P  P6  1  0.862  0.615  0.372  1.0
  P  P7  1  0.293  0.572  0.129  1.0
  P  P8  1  0.874  0.277  0.303  1.0
  P  P9  1  0.418  0.124  0.525  1.0
  P  P10  1  0.582  0.124  0.025  1.0
  P  P11  1  0.138  0.615  0.872  1.0
  P  P12  1  0.541  0.516  0.993  1.0
  P  P13  1  0.707  0.572  0.629  1.0
  P  P14  1  0.459  0.516  0.493  1.0
  P  P15  1  0.126  0.277  0.803  1.0
  O  O16  1  0.296  0.785  0.069  1.0
  O  O17  1  0.820  0.492  0.283  1.0
  O  O18  1  0.066  0.294  0.661  1.0
  O  O19  1  0.229  0.477  0.268  1.0
  O  O20  1  0.255  0.152  0.849  1.0
  O  O21  1  0.496  0.332  0.458  1.0
  O  O22  1  0.449  0.485  0.132  1.0
  O  O23  1  0.694  0.518  0.025  1.0
  O  O24  1  0.212  0.497  0.020  1.0
  O  O25  1  0.534  0.017  0.935  1.0
  O  O26  1  0.987  0.226  0.414  1.0
  O  O27  1  0.259  0.153  0.505  1.0
  O  O28  1  0.464  0.044  0.675  1.0
  O  O29  1  0.934  0.294  0.161  1.0
  O  O30  1  0.745  0.152  0.349  1.0
  O  O31  1  0.466  0.017  0.435  1.0
  O  O32  1  0.201  0.808  0.804  1.0
  O  O33  1  0.741  0.153  0.005  1.0
  O  O34  1  0.480  0.686  0.878  1.0
  O  O35  1  0.536  0.044  0.175  1.0
  O  O36  1  0.704  0.785  0.569  1.0
  O  O37  1  0.981  0.615  0.895  1.0
  O  O38  1  0.799  0.808  0.304  1.0
  O  O39  1  0.180  0.492  0.783  1.0
  O  O40  1  0.520  0.686  0.378  1.0
  O  O41  1  0.771  0.477  0.768  1.0
  O  O42  1  0.504  0.332  0.958  1.0
  O  O43  1  0.019  0.615  0.395  1.0
  O  O44  1  0.551  0.485  0.632  1.0
  O  O45  1  0.306  0.518  0.525  1.0
  O  O46  1  0.788  0.497  0.520  1.0
  O  O47  1  0.013  0.226  0.914  1.0
[/CIF]
.
The compound described by LiV2P5O16 crystallizes in the monoclinic Pc space group. The structure consists of two 7439-93-2 atoms inside a V2P5O16 framework. In the V2P5O16 framework, there are two inequivalent V sites. In the first V site, V(1) is bonded to one O(11), one O(12), one O(16), one O(3), one O(4), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(13), one O(14), one O(15), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(14), one O(16), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 8-61°. In the third P site, P(3) is bonded to one O(11), one O(2), one O(3), and one O(5) 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 P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-46°. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(13), 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  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-49°. In the fifth P site, P(5) is bonded to one O(15), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-52°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a linear 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 V(2) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(2) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one V(1) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one V(2) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. is represented by the CIF file [CIF]
data_LiV2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.516
_cell_length_b   7.590
_cell_length_c   10.363
_cell_angle_alpha   68.448
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   696.229
_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  0.802  0.999  0.752  1.0
  Li  Li1  1  0.198  0.999  0.252  1.0
  V  V2  1  0.143  0.378  0.468  1.0
  V  V3  1  0.370  0.927  0.863  1.0
  V  V4  1  0.630  0.927  0.363  1.0
  V  V5  1  0.857  0.378  0.968  1.0
  P  P6  1  0.862  0.615  0.372  1.0
  P  P7  1  0.293  0.572  0.129  1.0
  P  P8  1  0.874  0.277  0.303  1.0
  P  P9  1  0.418  0.124  0.525  1.0
  P  P10  1  0.582  0.124  0.025  1.0
  P  P11  1  0.138  0.615  0.872  1.0
  P  P12  1  0.541  0.516  0.993  1.0
  P  P13  1  0.707  0.572  0.629  1.0
  P  P14  1  0.459  0.516  0.493  1.0
  P  P15  1  0.126  0.277  0.803  1.0
  O  O16  1  0.296  0.785  0.069  1.0
  O  O17  1  0.820  0.492  0.283  1.0
  O  O18  1  0.066  0.294  0.661  1.0
  O  O19  1  0.229  0.477  0.268  1.0
  O  O20  1  0.255  0.152  0.849  1.0
  O  O21  1  0.496  0.332  0.458  1.0
  O  O22  1  0.449  0.485  0.132  1.0
  O  O23  1  0.694  0.518  0.025  1.0
  O  O24  1  0.212  0.497  0.020  1.0
  O  O25  1  0.534  0.017  0.935  1.0
  O  O26  1  0.987  0.226  0.414  1.0
  O  O27  1  0.259  0.153  0.505  1.0
  O  O28  1  0.464  0.044  0.675  1.0
  O  O29  1  0.934  0.294  0.161  1.0
  O  O30  1  0.745  0.152  0.349  1.0
  O  O31  1  0.466  0.017  0.435  1.0
  O  O32  1  0.201  0.808  0.804  1.0
  O  O33  1  0.741  0.153  0.005  1.0
  O  O34  1  0.480  0.686  0.878  1.0
  O  O35  1  0.536  0.044  0.175  1.0
  O  O36  1  0.704  0.785  0.569  1.0
  O  O37  1  0.981  0.615  0.895  1.0
  O  O38  1  0.799  0.808  0.304  1.0
  O  O39  1  0.180  0.492  0.783  1.0
  O  O40  1  0.520  0.686  0.378  1.0
  O  O41  1  0.771  0.477  0.768  1.0
  O  O42  1  0.504  0.332  0.958  1.0
  O  O43  1  0.019  0.615  0.395  1.0
  O  O44  1  0.551  0.485  0.632  1.0
  O  O45  1  0.306  0.518  0.525  1.0
  O  O46  1  0.788  0.497  0.520  1.0
  O  O47  1  0.013  0.226  0.914  1.0
[/CIF]
.