The material described by LiV(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(7), and one O(9) 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(4)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(15), and one O(3) 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(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(16), one O(2), one O(4), 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(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third P site, P(3) is bonded to one O(18), one O(3), one O(6), 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(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fourth P site, P(4) is bonded to one O(17), one O(4), one O(5), 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(2), and one O(5) atom 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(3) and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.428
_cell_length_b   6.428
_cell_length_c   6.429
_cell_angle_alpha   107.390
_cell_angle_beta   107.365
_cell_angle_gamma   107.338
_symmetry_Int_Tables_number   1
_cell_volume   218.989
_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  0.358  0.358  0.358  1.0
  O  O1  1  0.888  0.640  0.283  1.0
  O  O2  1  0.640  0.283  0.887  1.0
  O  O3  1  0.282  0.888  0.640  1.0
  O  O4  1  0.375  0.127  0.079  1.0
  O  O5  1  0.079  0.374  0.127  1.0
  O  O6  1  0.127  0.079  0.374  1.0
  O  O7  1  0.909  0.962  0.631  1.0
  O  O8  1  0.962  0.632  0.910  1.0
  O  O9  1  0.632  0.910  0.962  1.0
  P  P10  1  0.913  0.486  0.047  1.0
  P  P11  1  0.486  0.047  0.913  1.0
  P  P12  1  0.046  0.913  0.486  1.0
  V  V13  1  0.988  0.988  0.988  1.0
[/CIF]
.
The material described by LiV(PO3)3 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(7), and one O(9) atom. In the second Li site, Li(2) is bonded in a distorted T-shaped geometry to one O(10), one O(12), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(18), 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(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(17), one O(7), and one O(9) 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(4)O4 tetrahedra, and corners with two equivalent P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(15), and one O(3) 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(3)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(16), one O(2), one O(4), 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(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the third P site, P(3) is bonded to one O(18), one O(3), one O(6), 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(1)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fourth P site, P(4) is bonded to one O(17), one O(4), one O(5), 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(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fifth P site, P(5) is bonded to one O(12), one O(14), one O(2), and one O(5) atom 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(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the sixth P site, P(6) is bonded to one O(1), one O(11), one O(13), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(5) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(3) and one P(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(4) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one P(6) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one V(2) and one P(6) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one V(1) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the seventeenth O site, O(17) is bonded in a bent 120 degrees geometry to one V(2) and one P(4) atom. In the eighteenth O site, O(18) is bonded in a bent 120 degrees geometry to one V(1) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV(PO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.428
_cell_length_b   6.428
_cell_length_c   6.429
_cell_angle_alpha   107.390
_cell_angle_beta   107.365
_cell_angle_gamma   107.338
_symmetry_Int_Tables_number   1
_cell_volume   218.989
_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  0.358  0.358  0.358  1.0
  O  O1  1  0.888  0.640  0.283  1.0
  O  O2  1  0.640  0.283  0.887  1.0
  O  O3  1  0.282  0.888  0.640  1.0
  O  O4  1  0.375  0.127  0.079  1.0
  O  O5  1  0.079  0.374  0.127  1.0
  O  O6  1  0.127  0.079  0.374  1.0
  O  O7  1  0.909  0.962  0.631  1.0
  O  O8  1  0.962  0.632  0.910  1.0
  O  O9  1  0.632  0.910  0.962  1.0
  P  P10  1  0.913  0.486  0.047  1.0
  P  P11  1  0.486  0.047  0.913  1.0
  P  P12  1  0.046  0.913  0.486  1.0
  V  V13  1  0.988  0.988  0.988  1.0
[/CIF]
.