The compound described by LiV2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) 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, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. In the second V site, V(2) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to two equivalent O(12) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 150 degrees geometry to one V(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. is represented by the CIF file [CIF]
data_LiV2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.285
_cell_length_b   7.285
_cell_length_c   8.820
_cell_angle_alpha   70.476
_cell_angle_beta   70.476
_cell_angle_gamma   73.334
_symmetry_Int_Tables_number   1
_cell_volume   407.695
_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  0.516  0.985  0.261  1.0
  Li  Li1  1  0.015  0.484  0.739  1.0
  V  V2  1  0.638  0.114  0.792  1.0
  V  V3  1  0.363  0.885  0.709  1.0
  V  V4  1  0.115  0.637  0.291  1.0
  V  V5  1  0.886  0.362  0.208  1.0
  P  P6  1  0.549  0.676  0.036  1.0
  P  P7  1  0.677  0.548  0.535  1.0
  P  P8  1  0.324  0.451  0.964  1.0
  P  P9  1  0.957  0.043  0.000  1.0
  P  P10  1  0.043  0.957  0.500  1.0
  P  P11  1  0.452  0.323  0.465  1.0
  O  O12  1  0.241  0.385  0.447  1.0
  O  O13  1  0.015  0.124  0.343  1.0
  O  O14  1  0.757  0.615  0.058  1.0
  O  O15  1  0.611  0.269  0.314  1.0
  O  O16  1  0.490  0.510  0.500  1.0
  O  O17  1  0.388  0.729  0.186  1.0
  O  O18  1  0.748  0.045  0.985  1.0
  O  O19  1  0.532  0.844  0.874  1.0
  O  O20  1  0.845  0.532  0.373  1.0
  O  O21  1  0.512  0.488  0.000  1.0
  O  O22  1  0.876  0.985  0.657  1.0
  O  O23  1  0.046  0.748  0.484  1.0
  O  O24  1  0.731  0.389  0.686  1.0
  O  O25  1  0.271  0.612  0.814  1.0
  O  O26  1  0.983  0.877  0.157  1.0
  O  O27  1  0.468  0.155  0.627  1.0
  O  O28  1  0.955  0.252  0.015  1.0
  O  O29  1  0.123  0.017  0.843  1.0
  O  O30  1  0.156  0.468  0.126  1.0
  O  O31  1  0.615  0.759  0.553  1.0
  O  O32  1  0.252  0.954  0.516  1.0
  O  O33  1  0.385  0.243  0.942  1.0
[/CIF]
.
The compound described by LiV2P3O11 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(11), one O(4), one O(6), and one O(7) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(7), one O(8), and one O(9) 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, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(2)O6 octahedra. In the second V site, V(2) 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one V(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to two equivalent O(12) and two equivalent O(7) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-47°. In the fourth P site, P(4) is bonded to two equivalent O(11) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 22-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 150 degrees geometry to one V(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to two equivalent P(2) atoms. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one Li(1), one V(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. is represented by the CIF file [CIF]
data_LiV2P3O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.285
_cell_length_b   7.285
_cell_length_c   8.820
_cell_angle_alpha   70.476
_cell_angle_beta   70.476
_cell_angle_gamma   73.334
_symmetry_Int_Tables_number   1
_cell_volume   407.695
_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  0.516  0.985  0.261  1.0
  Li  Li1  1  0.015  0.484  0.739  1.0
  V  V2  1  0.638  0.114  0.792  1.0
  V  V3  1  0.363  0.885  0.709  1.0
  V  V4  1  0.115  0.637  0.291  1.0
  V  V5  1  0.886  0.362  0.208  1.0
  P  P6  1  0.549  0.676  0.036  1.0
  P  P7  1  0.677  0.548  0.535  1.0
  P  P8  1  0.324  0.451  0.964  1.0
  P  P9  1  0.957  0.043  0.000  1.0
  P  P10  1  0.043  0.957  0.500  1.0
  P  P11  1  0.452  0.323  0.465  1.0
  O  O12  1  0.241  0.385  0.447  1.0
  O  O13  1  0.015  0.124  0.343  1.0
  O  O14  1  0.757  0.615  0.058  1.0
  O  O15  1  0.611  0.269  0.314  1.0
  O  O16  1  0.490  0.510  0.500  1.0
  O  O17  1  0.388  0.729  0.186  1.0
  O  O18  1  0.748  0.045  0.985  1.0
  O  O19  1  0.532  0.844  0.874  1.0
  O  O20  1  0.845  0.532  0.373  1.0
  O  O21  1  0.512  0.488  0.000  1.0
  O  O22  1  0.876  0.985  0.657  1.0
  O  O23  1  0.046  0.748  0.484  1.0
  O  O24  1  0.731  0.389  0.686  1.0
  O  O25  1  0.271  0.612  0.814  1.0
  O  O26  1  0.983  0.877  0.157  1.0
  O  O27  1  0.468  0.155  0.627  1.0
  O  O28  1  0.955  0.252  0.015  1.0
  O  O29  1  0.123  0.017  0.843  1.0
  O  O30  1  0.156  0.468  0.126  1.0
  O  O31  1  0.615  0.759  0.553  1.0
  O  O32  1  0.252  0.954  0.516  1.0
  O  O33  1  0.385  0.243  0.942  1.0
[/CIF]
.