The compound described by LiV2P3O10 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)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 are 37°. In the second P site, P(2) is bonded to one O(4), one O(7), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third P site, P(3) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are seven 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 two equivalent V(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiV2P3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.669
_cell_length_b   4.657
_cell_length_c   9.146
_cell_angle_alpha   82.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.129
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  V  V2  1  0.070  0.968  0.335  1.0
  V  V3  1  0.430  0.968  0.335  1.0
  V  V4  1  0.570  0.032  0.665  1.0
  V  V5  1  0.930  0.032  0.665  1.0
  P  P6  1  0.250  0.671  0.822  1.0
  P  P7  1  0.750  0.598  0.463  1.0
  P  P8  1  0.750  0.458  0.859  1.0
  P  P9  1  0.250  0.542  0.141  1.0
  P  P10  1  0.250  0.402  0.537  1.0
  P  P11  1  0.750  0.329  0.178  1.0
  O  O12  1  0.101  0.841  0.814  1.0
  O  O13  1  0.399  0.841  0.814  1.0
  O  O14  1  0.750  0.759  0.766  1.0
  O  O15  1  0.601  0.767  0.484  1.0
  O  O16  1  0.899  0.767  0.484  1.0
  O  O17  1  0.250  0.706  0.447  1.0
  O  O18  1  0.102  0.714  0.155  1.0
  O  O19  1  0.398  0.714  0.155  1.0
  O  O20  1  0.250  0.449  0.973  1.0
  O  O21  1  0.750  0.561  0.290  1.0
  O  O22  1  0.250  0.439  0.710  1.0
  O  O23  1  0.750  0.551  0.027  1.0
  O  O24  1  0.602  0.286  0.845  1.0
  O  O25  1  0.898  0.286  0.845  1.0
  O  O26  1  0.750  0.294  0.553  1.0
  O  O27  1  0.101  0.233  0.516  1.0
  O  O28  1  0.399  0.233  0.516  1.0
  O  O29  1  0.250  0.241  0.234  1.0
  O  O30  1  0.601  0.159  0.186  1.0
  O  O31  1  0.899  0.159  0.186  1.0
[/CIF]
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The compound described by LiV2P3O10 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)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 are 37°. In the second P site, P(2) is bonded to one O(4), one O(7), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the third P site, P(3) is bonded to one O(2), one O(6), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-59°. There are seven 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 two equivalent V(1) and one P(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent V(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiV2P3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.669
_cell_length_b   4.657
_cell_length_c   9.146
_cell_angle_alpha   82.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   366.129
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  V  V2  1  0.070  0.968  0.335  1.0
  V  V3  1  0.430  0.968  0.335  1.0
  V  V4  1  0.570  0.032  0.665  1.0
  V  V5  1  0.930  0.032  0.665  1.0
  P  P6  1  0.250  0.671  0.822  1.0
  P  P7  1  0.750  0.598  0.463  1.0
  P  P8  1  0.750  0.458  0.859  1.0
  P  P9  1  0.250  0.542  0.141  1.0
  P  P10  1  0.250  0.402  0.537  1.0
  P  P11  1  0.750  0.329  0.178  1.0
  O  O12  1  0.101  0.841  0.814  1.0
  O  O13  1  0.399  0.841  0.814  1.0
  O  O14  1  0.750  0.759  0.766  1.0
  O  O15  1  0.601  0.767  0.484  1.0
  O  O16  1  0.899  0.767  0.484  1.0
  O  O17  1  0.250  0.706  0.447  1.0
  O  O18  1  0.102  0.714  0.155  1.0
  O  O19  1  0.398  0.714  0.155  1.0
  O  O20  1  0.250  0.449  0.973  1.0
  O  O21  1  0.750  0.561  0.290  1.0
  O  O22  1  0.250  0.439  0.710  1.0
  O  O23  1  0.750  0.551  0.027  1.0
  O  O24  1  0.602  0.286  0.845  1.0
  O  O25  1  0.898  0.286  0.845  1.0
  O  O26  1  0.750  0.294  0.553  1.0
  O  O27  1  0.101  0.233  0.516  1.0
  O  O28  1  0.399  0.233  0.516  1.0
  O  O29  1  0.250  0.241  0.234  1.0
  O  O30  1  0.601  0.159  0.186  1.0
  O  O31  1  0.899  0.159  0.186  1.0
[/CIF]
.