The structure described by LiV2(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(4) atom. 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(3), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom 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 24-43°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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 23-41°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom 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 22-43°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(3) atom. In the sixth O site, O(11) is bonded in a 2-coordinate geometry to one V(1) and one P(3) atom. In the seventh O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the twelfth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiV2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.599
_cell_length_b   8.599
_cell_length_c   8.549
_cell_angle_alpha   60.434
_cell_angle_beta   60.434
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   449.902
_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  0.018  0.434  0.982  1.0
  Li  Li1  1  0.434  0.018  0.482  1.0
  V  V2  1  0.361  0.856  0.918  1.0
  V  V3  1  0.856  0.361  0.418  1.0
  V  V4  1  0.141  0.641  0.572  1.0
  V  V5  1  0.641  0.141  0.072  1.0
  P  P6  1  0.037  0.963  0.742  1.0
  P  P7  1  0.750  0.534  0.752  1.0
  P  P8  1  0.534  0.750  0.252  1.0
  P  P9  1  0.963  0.037  0.242  1.0
  P  P10  1  0.462  0.248  0.744  1.0
  P  P11  1  0.248  0.462  0.244  1.0
  O  O12  1  0.946  0.230  0.233  1.0
  O  O13  1  0.699  0.372  0.934  1.0
  O  O14  1  0.501  0.798  0.070  1.0
  O  O15  1  0.372  0.699  0.434  1.0
  O  O16  1  0.230  0.946  0.733  1.0
  O  O17  1  0.920  0.550  0.755  1.0
  O  O18  1  0.550  0.920  0.255  1.0
  O  O19  1  0.724  0.581  0.251  1.0
  O  O20  1  0.129  0.999  0.061  1.0
  O  O21  1  0.994  0.876  0.424  1.0
  O  O22  1  0.581  0.724  0.751  1.0
  O  O23  1  0.198  0.502  0.425  1.0
  O  O24  1  0.798  0.501  0.570  1.0
  O  O25  1  0.059  0.774  0.739  1.0
  O  O26  1  0.999  0.129  0.561  1.0
  O  O27  1  0.269  0.413  0.755  1.0
  O  O28  1  0.876  0.994  0.924  1.0
  O  O29  1  0.774  0.059  0.239  1.0
  O  O30  1  0.080  0.439  0.245  1.0
  O  O31  1  0.624  0.299  0.562  1.0
  O  O32  1  0.502  0.198  0.925  1.0
  O  O33  1  0.299  0.624  0.062  1.0
  O  O34  1  0.413  0.269  0.255  1.0
  O  O35  1  0.439  0.080  0.745  1.0
[/CIF]
.
The structure described by LiV2(PO4)3 crystallizes in the monoclinic Cc space group. Li(1) is bonded in a 3-coordinate geometry to one O(1), one O(10), and one O(4) atom. 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(3), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second V site, V(2) is bonded to one O(10), one O(2), one O(4), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(6), one O(7), and one O(9) atom 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 24-43°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom 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 23-41°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom 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 22-43°. There are twelve inequivalent O sites. In the first O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the third O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the fifth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(3) atom. In the sixth O site, O(11) is bonded in a 2-coordinate geometry to one V(1) and one P(3) atom. In the seventh O site, O(12) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the eighth O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one P(1) atom. In the ninth O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the eleventh O site, O(4) is bonded in a distorted T-shaped geometry to one Li(1), one V(2), and one P(2) atom. In the twelfth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF file [CIF]
data_LiV2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.599
_cell_length_b   8.599
_cell_length_c   8.549
_cell_angle_alpha   60.434
_cell_angle_beta   60.434
_cell_angle_gamma   59.987
_symmetry_Int_Tables_number   1
_cell_volume   449.902
_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  0.018  0.434  0.982  1.0
  Li  Li1  1  0.434  0.018  0.482  1.0
  V  V2  1  0.361  0.856  0.918  1.0
  V  V3  1  0.856  0.361  0.418  1.0
  V  V4  1  0.141  0.641  0.572  1.0
  V  V5  1  0.641  0.141  0.072  1.0
  P  P6  1  0.037  0.963  0.742  1.0
  P  P7  1  0.750  0.534  0.752  1.0
  P  P8  1  0.534  0.750  0.252  1.0
  P  P9  1  0.963  0.037  0.242  1.0
  P  P10  1  0.462  0.248  0.744  1.0
  P  P11  1  0.248  0.462  0.244  1.0
  O  O12  1  0.946  0.230  0.233  1.0
  O  O13  1  0.699  0.372  0.934  1.0
  O  O14  1  0.501  0.798  0.070  1.0
  O  O15  1  0.372  0.699  0.434  1.0
  O  O16  1  0.230  0.946  0.733  1.0
  O  O17  1  0.920  0.550  0.755  1.0
  O  O18  1  0.550  0.920  0.255  1.0
  O  O19  1  0.724  0.581  0.251  1.0
  O  O20  1  0.129  0.999  0.061  1.0
  O  O21  1  0.994  0.876  0.424  1.0
  O  O22  1  0.581  0.724  0.751  1.0
  O  O23  1  0.198  0.502  0.425  1.0
  O  O24  1  0.798  0.501  0.570  1.0
  O  O25  1  0.059  0.774  0.739  1.0
  O  O26  1  0.999  0.129  0.561  1.0
  O  O27  1  0.269  0.413  0.755  1.0
  O  O28  1  0.876  0.994  0.924  1.0
  O  O29  1  0.774  0.059  0.239  1.0
  O  O30  1  0.080  0.439  0.245  1.0
  O  O31  1  0.624  0.299  0.562  1.0
  O  O32  1  0.502  0.198  0.925  1.0
  O  O33  1  0.299  0.624  0.062  1.0
  O  O34  1  0.413  0.269  0.255  1.0
  O  O35  1  0.439  0.080  0.745  1.0
[/CIF]
.