The material described by Li6V(OF)3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one F(1), one F(2), and one F(6) atom to form LiO2F3 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(4)O3F tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one F(1), and one F(4) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 square pyramids,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one F(3), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(11)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 16-73°. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(5) atom to form LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the sixth Li site, Li(6) is bonded to one O(1), one O(3), one F(2), one F(4), and one F(6) atom to form LiO2F3 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(11)O2F2 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(1)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 19°. In the seventh Li site, Li(7) is bonded to one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form distorted LiO2F3 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(1)O3F3 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 22°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), one F(2), and one F(3) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the ninth Li site, Li(9) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the tenth Li site, Li(10) is bonded to one O(2), one O(3), one O(6), one F(3), and one F(6) atom to form LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 square pyramids,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(6)O2F3 trigonal bipyramid,  an edgeedge with one Li(7)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the eleventh Li site, Li(11) is bonded to one O(4), one O(5), one F(2), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid, corners with two equivalent Li(1)O2F3 square pyramids,  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 10-77°. In the twelfth Li site, Li(12) is bonded to one O(6), one F(1), one F(3), one F(5), and one F(6) atom to form LiOF4 trigonal bipyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(12)OF4 trigonal bipyramid, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and edges with two equivalent Li(7)O2F3 trigonal bipyramids. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share  a cornercorner with one Li(11)O2F2 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, edges with two equivalent Li(5)O3F2 square pyramids, edges with two equivalent Li(8)O3F2 square pyramids,  an edgeedge with one Li(11)O2F2 tetrahedra, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Li(8), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(4)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-18°. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(4), one Li(8), one Li(9), and one V(2) atom to form distorted OLi5V octahedra that share  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(3)Li5V octahedra, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-28°. In the third O site, O(3) is bonded to one Li(10), one Li(3), one Li(6), one Li(7), one Li(9), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid, corners with two equivalent F(5)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(6)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-26°. In the fourth O site, O(4) is bonded to one Li(1), one Li(11), one Li(2), one Li(5), one Li(8), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(5)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid,  an edgeedge with one F(5)Li4V trigonal bipyramid, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the fifth O site, O(5) is bonded to one Li(11), one Li(2), one Li(4), one Li(5), one Li(9), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid, corners with two equivalent F(5)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-26°. In the sixth O site, O(6) is bonded to one Li(10), one Li(12), one Li(5), one Li(7), one Li(9), and one V(1) atom to form distorted OLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-18°. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(2), one Li(7), and one V(1) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-89°. In the second F site, F(2) is bonded to one Li(1), one Li(11), one Li(6), one Li(8), and one V(2) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra, corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(4)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, and edges with two equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 9-88°. In the third F site, F(3) is bonded to one Li(10), one Li(12), one Li(3), one Li(5), one Li(8), and one V(2) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra,  an edgeedge with one F(2)Li4V trigonal bipyramid, and edges with two equivalent F(5)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-22°. In the fourth F site, F(4) is bonded to one Li(11), one Li(2), one Li(4), one Li(6), one Li(7), and one V(1) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-28°. In the fifth F site, F(5) is bonded to one Li(12), one Li(3), one Li(5), one Li(7), and one V(2) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(3)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-88°. In the sixth F site, F(6) is bonded to one Li(1), one Li(10), one Li(12), one Li(3), one Li(6), and one V(1) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid,  an edgeedge with one F(2)Li4V trigonal bipyramid, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-22°. is represented by the CIF card [CIF]
data_Li6V(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   6.650
_cell_length_c   7.876
_cell_angle_alpha   89.870
_cell_angle_beta   91.477
_cell_angle_gamma   106.581
_symmetry_Int_Tables_number   1
_cell_volume   261.842
_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  0.884  0.087  0.341  1.0
  Li  Li1  1  0.751  0.664  0.223  1.0
  Li  Li2  1  0.714  0.173  0.757  1.0
  Li  Li3  1  0.072  0.455  0.140  1.0
  Li  Li4  1  0.395  0.803  0.911  1.0
  Li  Li5  1  0.443  0.323  0.413  1.0
  Li  Li6  1  0.566  0.678  0.607  1.0
  Li  Li7  1  0.611  0.196  0.106  1.0
  Li  Li8  1  0.932  0.544  0.853  1.0
  Li  Li9  1  0.280  0.349  0.763  1.0
  Li  Li10  1  0.315  0.833  0.233  1.0
  Li  Li11  1  0.101  0.909  0.656  1.0
  V  V12  1  0.969  0.494  0.510  1.0
  V  V13  1  0.978  0.994  0.010  1.0
  O  O14  1  0.784  0.368  0.298  1.0
  O  O15  1  0.967  0.276  0.942  1.0
  O  O16  1  0.654  0.416  0.645  1.0
  O  O17  1  0.661  0.920  0.139  1.0
  O  O18  1  0.061  0.727  0.050  1.0
  O  O19  1  0.219  0.647  0.691  1.0
  F  F20  1  0.897  0.787  0.449  1.0
  F  F21  1  0.233  0.118  0.228  1.0
  F  F22  1  0.344  0.076  0.851  1.0
  F  F23  1  0.332  0.574  0.347  1.0
  F  F24  1  0.764  0.883  0.779  1.0
  F  F25  1  0.072  0.207  0.558  1.0
[/CIF]
.
The material described by Li6V(OF)3 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one F(1), one F(2), and one F(6) atom to form LiO2F3 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(4)O3F tetrahedra, corners with two equivalent Li(11)O2F2 tetrahedra,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 13°. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), one F(1), and one F(4) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 square pyramids,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 10°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(2), one O(3), one F(3), one F(5), and one F(6) atom. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), and one F(4) atom to form distorted LiO3F tetrahedra that share corners with two equivalent V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(11)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 16-73°. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), one O(6), one F(3), and one F(5) atom to form LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra,  an edgeedge with one Li(8)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(7)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 14°. In the sixth Li site, Li(6) is bonded to one O(1), one O(3), one F(2), one F(4), and one F(6) atom to form LiO2F3 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(11)O2F2 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(1)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 19°. In the seventh Li site, Li(7) is bonded to one O(3), one O(6), one F(1), one F(4), and one F(5) atom to form distorted LiO2F3 trigonal bipyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(1)O3F3 octahedra,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(6)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 22°. In the eighth Li site, Li(8) is bonded to one O(1), one O(2), one O(4), one F(2), and one F(3) atom to form distorted LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(10)O3F2 square pyramids, corners with two equivalent Li(2)O3F2 square pyramids,  a cornercorner with one Li(12)OF4 trigonal bipyramid, edges with two equivalent V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(11)O2F2 tetrahedra,  an edgeedge with one Li(4)O3F tetrahedra, and  an edgeedge with one Li(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 11°. In the ninth Li site, Li(9) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(5), and one O(6) atom. In the tenth Li site, Li(10) is bonded to one O(2), one O(3), one O(6), one F(3), and one F(6) atom to form LiO3F2 square pyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(1)O2F3 square pyramid, corners with two equivalent Li(5)O3F2 square pyramids, corners with two equivalent Li(8)O3F2 square pyramids,  a cornercorner with one Li(4)O3F tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(6)O2F3 trigonal bipyramid,  an edgeedge with one Li(7)O2F3 trigonal bipyramid, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. The corner-sharing octahedral tilt angles are 9°. In the eleventh Li site, Li(11) is bonded to one O(4), one O(5), one F(2), and one F(4) atom to form distorted LiO2F2 tetrahedra that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one Li(2)O3F2 square pyramid, corners with two equivalent Li(1)O2F3 square pyramids,  a cornercorner with one Li(7)O2F3 trigonal bipyramid, corners with two equivalent Li(6)O2F3 trigonal bipyramids,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid,  an edgeedge with one Li(8)O3F2 square pyramid, and  an edgeedge with one Li(4)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 10-77°. In the twelfth Li site, Li(12) is bonded to one O(6), one F(1), one F(3), one F(5), and one F(6) atom to form LiOF4 trigonal bipyramids that share  a cornercorner with one V(1)O3F3 octahedra,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one V(1)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(5)O3F2 square pyramid, and  an edgeedge with one Li(7)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(4), and one F(6) atom to form VO3F3 octahedra that share  a cornercorner with one Li(1)O2F3 square pyramid,  a cornercorner with one Li(10)O3F2 square pyramid,  a cornercorner with one Li(2)O3F2 square pyramid,  a cornercorner with one Li(5)O3F2 square pyramid,  a cornercorner with one Li(8)O3F2 square pyramid,  a cornercorner with one Li(11)O2F2 tetrahedra,  a cornercorner with one Li(12)OF4 trigonal bipyramid,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid,  an edgeedge with one Li(4)O3F tetrahedra,  an edgeedge with one Li(12)OF4 trigonal bipyramid, edges with two equivalent Li(6)O2F3 trigonal bipyramids, and edges with two equivalent Li(7)O2F3 trigonal bipyramids. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share  a cornercorner with one Li(11)O2F2 tetrahedra, corners with two equivalent Li(4)O3F tetrahedra,  a cornercorner with one Li(6)O2F3 trigonal bipyramid,  a cornercorner with one Li(7)O2F3 trigonal bipyramid,  an edgeedge with one Li(1)O2F3 square pyramid,  an edgeedge with one Li(10)O3F2 square pyramid,  an edgeedge with one Li(2)O3F2 square pyramid, edges with two equivalent Li(5)O3F2 square pyramids, edges with two equivalent Li(8)O3F2 square pyramids,  an edgeedge with one Li(11)O2F2 tetrahedra, and  an edgeedge with one Li(12)OF4 trigonal bipyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Li(8), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(4)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-18°. In the second O site, O(2) is bonded to one Li(10), one Li(3), one Li(4), one Li(8), one Li(9), and one V(2) atom to form distorted OLi5V octahedra that share  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(3)Li5V octahedra, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-28°. In the third O site, O(3) is bonded to one Li(10), one Li(3), one Li(6), one Li(7), one Li(9), and one V(1) atom to form OLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid, corners with two equivalent F(5)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(6)Li5V octahedra, edges with two equivalent F(6)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-26°. In the fourth O site, O(4) is bonded to one Li(1), one Li(11), one Li(2), one Li(5), one Li(8), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(5)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid,  an edgeedge with one F(5)Li4V trigonal bipyramid, and edges with two equivalent F(2)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-15°. In the fifth O site, O(5) is bonded to one Li(11), one Li(2), one Li(4), one Li(5), one Li(9), and one V(2) atom to form OLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid, corners with two equivalent F(5)Li4V trigonal bipyramids,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(4)Li5V octahedra, and  an edgeedge with one F(2)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-26°. In the sixth O site, O(6) is bonded to one Li(10), one Li(12), one Li(5), one Li(7), one Li(9), and one V(1) atom to form distorted OLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-18°. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(12), one Li(2), one Li(7), and one V(1) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 5-89°. In the second F site, F(2) is bonded to one Li(1), one Li(11), one Li(6), one Li(8), and one V(2) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra, corners with two equivalent O(2)Li5V octahedra, corners with two equivalent F(4)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, and edges with two equivalent O(4)Li5V octahedra. The corner-sharing octahedral tilt angles range from 9-88°. In the third F site, F(3) is bonded to one Li(10), one Li(12), one Li(3), one Li(5), one Li(8), and one V(2) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(6)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(2)Li5V octahedra,  an edgeedge with one F(2)Li4V trigonal bipyramid, and edges with two equivalent F(5)Li4V trigonal bipyramids. The corner-sharing octahedral tilt angles range from 2-22°. In the fourth F site, F(4) is bonded to one Li(11), one Li(2), one Li(4), one Li(6), one Li(7), and one V(1) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(2)Li5V octahedra,  a cornercorner with one O(3)Li5V octahedra,  a cornercorner with one O(5)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  a cornercorner with one F(5)Li4V trigonal bipyramid, corners with two equivalent F(2)Li4V trigonal bipyramids,  an edgeedge with one O(3)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(5)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent O(1)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 2-28°. In the fifth F site, F(5) is bonded to one Li(12), one Li(3), one Li(5), one Li(7), and one V(2) atom to form distorted FLi4V trigonal bipyramids that share  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(4)Li5V octahedra, corners with two equivalent O(3)Li5V octahedra, corners with two equivalent O(5)Li5V octahedra,  a cornercorner with one F(2)Li4V trigonal bipyramid,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(4)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(6)Li5V octahedra, edges with two equivalent F(3)Li5V octahedra, and  an edgeedge with one F(1)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 4-88°. In the sixth F site, F(6) is bonded to one Li(1), one Li(10), one Li(12), one Li(3), one Li(6), and one V(1) atom to form distorted FLi5V octahedra that share  a cornercorner with one O(1)Li5V octahedra,  a cornercorner with one O(4)Li5V octahedra,  a cornercorner with one O(6)Li5V octahedra,  a cornercorner with one F(3)Li5V octahedra,  a cornercorner with one F(1)Li4V trigonal bipyramid,  an edgeedge with one O(1)Li5V octahedra,  an edgeedge with one O(2)Li5V octahedra,  an edgeedge with one O(6)Li5V octahedra,  an edgeedge with one F(3)Li5V octahedra,  an edgeedge with one F(4)Li5V octahedra, edges with two equivalent O(3)Li5V octahedra,  an edgeedge with one F(1)Li4V trigonal bipyramid,  an edgeedge with one F(2)Li4V trigonal bipyramid, and  an edgeedge with one F(5)Li4V trigonal bipyramid. The corner-sharing octahedral tilt angles range from 9-22°. is represented by the CIF card [CIF]
data_Li6V(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.219
_cell_length_b   6.650
_cell_length_c   7.876
_cell_angle_alpha   89.870
_cell_angle_beta   91.477
_cell_angle_gamma   106.581
_symmetry_Int_Tables_number   1
_cell_volume   261.842
_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  0.884  0.087  0.341  1.0
  Li  Li1  1  0.751  0.664  0.223  1.0
  Li  Li2  1  0.714  0.173  0.757  1.0
  Li  Li3  1  0.072  0.455  0.140  1.0
  Li  Li4  1  0.395  0.803  0.911  1.0
  Li  Li5  1  0.443  0.323  0.413  1.0
  Li  Li6  1  0.566  0.678  0.607  1.0
  Li  Li7  1  0.611  0.196  0.106  1.0
  Li  Li8  1  0.932  0.544  0.853  1.0
  Li  Li9  1  0.280  0.349  0.763  1.0
  Li  Li10  1  0.315  0.833  0.233  1.0
  Li  Li11  1  0.101  0.909  0.656  1.0
  V  V12  1  0.969  0.494  0.510  1.0
  V  V13  1  0.978  0.994  0.010  1.0
  O  O14  1  0.784  0.368  0.298  1.0
  O  O15  1  0.967  0.276  0.942  1.0
  O  O16  1  0.654  0.416  0.645  1.0
  O  O17  1  0.661  0.920  0.139  1.0
  O  O18  1  0.061  0.727  0.050  1.0
  O  O19  1  0.219  0.647  0.691  1.0
  F  F20  1  0.897  0.787  0.449  1.0
  F  F21  1  0.233  0.118  0.228  1.0
  F  F22  1  0.344  0.076  0.851  1.0
  F  F23  1  0.332  0.574  0.347  1.0
  F  F24  1  0.764  0.883  0.779  1.0
  F  F25  1  0.072  0.207  0.558  1.0
[/CIF]
.