The material structure described by Li2V3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-59°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), 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(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the fifth P site, P(5) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.064
_cell_length_b   9.164
_cell_length_c   9.286
_cell_angle_alpha   111.475
_cell_angle_beta   109.822
_cell_angle_gamma   98.878
_symmetry_Int_Tables_number   1
_cell_volume   498.896
_cell_formula_units_Z   1
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  0.206  0.954  0.722  1.0
  Li  Li1  1  0.794  0.046  0.278  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.260  0.016  0.256  1.0
  V  V4  1  0.740  0.984  0.744  1.0
  P  P5  1  0.288  0.764  0.433  1.0
  P  P6  1  0.809  0.755  0.954  1.0
  P  P7  1  0.653  0.678  0.392  1.0
  P  P8  1  0.191  0.702  0.920  1.0
  P  P9  1  0.500  0.500  0.000  1.0
  P  P10  1  0.347  0.322  0.608  1.0
  P  P11  1  0.809  0.298  0.080  1.0
  P  P12  1  0.712  0.236  0.567  1.0
  P  P13  1  0.191  0.245  0.046  1.0
  O  O14  1  0.419  0.903  0.618  1.0
  O  O15  1  0.918  0.909  0.128  1.0
  O  O16  1  0.321  0.878  0.054  1.0
  O  O17  1  0.786  0.856  0.523  1.0
  O  O18  1  0.736  0.794  0.804  1.0
  O  O19  1  0.240  0.825  0.298  1.0
  O  O20  1  0.616  0.660  0.207  1.0
  O  O21  1  0.137  0.692  0.742  1.0
  O  O22  1  0.615  0.630  0.937  1.0
  O  O23  1  0.086  0.661  0.417  1.0
  O  O24  1  0.423  0.642  0.390  1.0
  O  O25  1  0.969  0.650  0.934  1.0
  O  O26  1  0.280  0.564  0.952  1.0
  O  O27  1  0.726  0.545  0.430  1.0
  O  O28  1  0.720  0.436  0.048  1.0
  O  O29  1  0.274  0.455  0.570  1.0
  O  O30  1  0.577  0.358  0.610  1.0
  O  O31  1  0.031  0.350  0.066  1.0
  O  O32  1  0.385  0.370  0.063  1.0
  O  O33  1  0.914  0.339  0.583  1.0
  O  O34  1  0.384  0.340  0.793  1.0
  O  O35  1  0.863  0.308  0.258  1.0
  O  O36  1  0.264  0.206  0.196  1.0
  O  O37  1  0.760  0.175  0.702  1.0
  O  O38  1  0.679  0.122  0.946  1.0
  O  O39  1  0.214  0.144  0.477  1.0
  O  O40  1  0.581  0.097  0.382  1.0
  O  O41  1  0.082  0.091  0.872  1.0
[/CIF]
.
The material structure described by Li2V3P9O28 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(10), two equivalent O(14), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are five inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(11), 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(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(5)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-59°. In the third P site, P(3) is bonded to one O(11), one O(14), one O(4), and one O(7) 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(5)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-57°. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(3), 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(5)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-54°. In the fifth P site, P(5) is bonded to two equivalent O(13), two equivalent O(7), and two equivalent O(9) atoms to form corner-sharing PO6 octahedra. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one P(3) and one P(5) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one P(2) and one P(5) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2V3P9O28
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.064
_cell_length_b   9.164
_cell_length_c   9.286
_cell_angle_alpha   111.475
_cell_angle_beta   109.822
_cell_angle_gamma   98.878
_symmetry_Int_Tables_number   1
_cell_volume   498.896
_cell_formula_units_Z   1
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  0.206  0.954  0.722  1.0
  Li  Li1  1  0.794  0.046  0.278  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.260  0.016  0.256  1.0
  V  V4  1  0.740  0.984  0.744  1.0
  P  P5  1  0.288  0.764  0.433  1.0
  P  P6  1  0.809  0.755  0.954  1.0
  P  P7  1  0.653  0.678  0.392  1.0
  P  P8  1  0.191  0.702  0.920  1.0
  P  P9  1  0.500  0.500  0.000  1.0
  P  P10  1  0.347  0.322  0.608  1.0
  P  P11  1  0.809  0.298  0.080  1.0
  P  P12  1  0.712  0.236  0.567  1.0
  P  P13  1  0.191  0.245  0.046  1.0
  O  O14  1  0.419  0.903  0.618  1.0
  O  O15  1  0.918  0.909  0.128  1.0
  O  O16  1  0.321  0.878  0.054  1.0
  O  O17  1  0.786  0.856  0.523  1.0
  O  O18  1  0.736  0.794  0.804  1.0
  O  O19  1  0.240  0.825  0.298  1.0
  O  O20  1  0.616  0.660  0.207  1.0
  O  O21  1  0.137  0.692  0.742  1.0
  O  O22  1  0.615  0.630  0.937  1.0
  O  O23  1  0.086  0.661  0.417  1.0
  O  O24  1  0.423  0.642  0.390  1.0
  O  O25  1  0.969  0.650  0.934  1.0
  O  O26  1  0.280  0.564  0.952  1.0
  O  O27  1  0.726  0.545  0.430  1.0
  O  O28  1  0.720  0.436  0.048  1.0
  O  O29  1  0.274  0.455  0.570  1.0
  O  O30  1  0.577  0.358  0.610  1.0
  O  O31  1  0.031  0.350  0.066  1.0
  O  O32  1  0.385  0.370  0.063  1.0
  O  O33  1  0.914  0.339  0.583  1.0
  O  O34  1  0.384  0.340  0.793  1.0
  O  O35  1  0.863  0.308  0.258  1.0
  O  O36  1  0.264  0.206  0.196  1.0
  O  O37  1  0.760  0.175  0.702  1.0
  O  O38  1  0.679  0.122  0.946  1.0
  O  O39  1  0.214  0.144  0.477  1.0
  O  O40  1  0.581  0.097  0.382  1.0
  O  O41  1  0.082  0.091  0.872  1.0
[/CIF]
.