The crystal structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form LiOF5 octahedra that share corners with two equivalent V(5)O4F2 octahedra,  a cornercorner with one V(1)O5F2 pentagonal bipyramid, and  an edgeedge with one V(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-55°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), one F(1), and one F(5) atom to form distorted VO5F2 pentagonal bipyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(3) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(2) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(3), and one F(4) atom. In the fifth V site, V(5) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(5) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(1)OF5 octahedra,  a cornercorner with one V(1)O5F2 pentagonal bipyramid, and  an edgeedge with one V(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the sixth V site, V(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one F(4), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one V(6) atom to form a mixture of edge and corner-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded to one V(1), one V(2), one V(3), and one V(6) atom to form OV4 trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(3)V4 tetrahedra,  a cornercorner with one O(5)V4 tetrahedra, corners with two equivalent O(4)V4 tetrahedra, corners with two equivalent O(6)V4 tetrahedra,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the third O site, O(3) is bonded to one V(1), one V(2), one V(3), and one V(4) atom to form distorted OV4 tetrahedra that share  a cornercorner with one O(4)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)V4 tetrahedra,  a cornercorner with one O(2)V4 trigonal pyramid, corners with two equivalent O(7)V4 trigonal pyramids,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(1), one V(2), one V(4), and one V(5) atom to form OV4 tetrahedra that share  a cornercorner with one O(3)V4 tetrahedra, corners with two equivalent O(6)V4 tetrahedra,  a cornercorner with one O(7)V4 trigonal pyramid, corners with two equivalent O(2)V4 trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the fifth O site, O(5) is bonded to one V(2), one V(3), one V(5), and one V(6) atom to form OV4 tetrahedra that share  a cornercorner with one O(6)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(3)V4 tetrahedra,  a cornercorner with one O(2)V4 trigonal pyramid, corners with two equivalent O(7)V4 trigonal pyramids,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. In the sixth O site, O(6) is bonded to one V(3), one V(4), one V(5), and one V(6) atom to form distorted OV4 tetrahedra that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(5)V4 tetrahedra, corners with two equivalent O(4)V4 tetrahedra,  a cornercorner with one O(7)V4 trigonal pyramid, corners with two equivalent O(2)V4 trigonal pyramids,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(4), one V(5), and one V(6) atom to form OV4 trigonal pyramids that share  a cornercorner with one O(4)V4 tetrahedra,  a cornercorner with one O(6)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(3)V4 tetrahedra, corners with two equivalent O(5)V4 tetrahedra,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(5) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), one V(5), and one V(6) atom. is represented by the CIF file [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   6.091
_cell_length_c   6.138
_cell_angle_alpha   100.733
_cell_angle_beta   100.403
_cell_angle_gamma   98.795
_symmetry_Int_Tables_number   1
_cell_volume   206.108
_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  0.994  0.981  0.001  1.0
  V  V1  1  0.301  0.608  0.134  1.0
  V  V2  1  0.850  0.662  0.381  1.0
  V  V3  1  0.595  0.158  0.341  1.0
  V  V4  1  0.404  0.852  0.664  1.0
  V  V5  1  0.152  0.348  0.604  1.0
  V  V6  1  0.686  0.409  0.870  1.0
  O  O7  1  0.932  0.657  0.077  1.0
  O  O8  1  0.566  0.414  0.178  1.0
  O  O9  1  0.579  0.829  0.412  1.0
  O  O10  1  0.188  0.575  0.421  1.0
  O  O11  1  0.822  0.427  0.588  1.0
  O  O12  1  0.413  0.178  0.587  1.0
  O  O13  1  0.420  0.594  0.830  1.0
  F  F14  1  0.323  0.949  0.094  1.0
  F  F15  1  0.934  0.108  0.319  1.0
  F  F16  1  0.058  0.889  0.674  1.0
  F  F17  1  0.682  0.063  0.900  1.0
  F  F18  1  0.099  0.298  0.926  1.0
[/CIF]
.
The crystal structure described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form LiOF5 octahedra that share corners with two equivalent V(5)O4F2 octahedra,  a cornercorner with one V(1)O5F2 pentagonal bipyramid, and  an edgeedge with one V(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-55°. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), one F(1), and one F(5) atom to form distorted VO5F2 pentagonal bipyramids that share  a cornercorner with one Li(1)OF5 octahedra,  a cornercorner with one V(5)O4F2 octahedra,  an edgeedge with one Li(1)OF5 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-49°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one F(3) atom. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), one F(1), and one F(2) atom. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(6), one O(7), one F(3), and one F(4) atom. In the fifth V site, V(5) is bonded to one O(4), one O(5), one O(6), one O(7), one F(2), and one F(5) atom to form distorted VO4F2 octahedra that share corners with two equivalent Li(1)OF5 octahedra,  a cornercorner with one V(1)O5F2 pentagonal bipyramid, and  an edgeedge with one V(1)O5F2 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 48-55°. In the sixth V site, V(6) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), one F(4), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one V(6) atom to form a mixture of edge and corner-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded to one V(1), one V(2), one V(3), and one V(6) atom to form OV4 trigonal pyramids that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(3)V4 tetrahedra,  a cornercorner with one O(5)V4 tetrahedra, corners with two equivalent O(4)V4 tetrahedra, corners with two equivalent O(6)V4 tetrahedra,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the third O site, O(3) is bonded to one V(1), one V(2), one V(3), and one V(4) atom to form distorted OV4 tetrahedra that share  a cornercorner with one O(4)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(5)V4 tetrahedra,  a cornercorner with one O(2)V4 trigonal pyramid, corners with two equivalent O(7)V4 trigonal pyramids,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. In the fourth O site, O(4) is bonded to one V(1), one V(2), one V(4), and one V(5) atom to form OV4 tetrahedra that share  a cornercorner with one O(3)V4 tetrahedra, corners with two equivalent O(6)V4 tetrahedra,  a cornercorner with one O(7)V4 trigonal pyramid, corners with two equivalent O(2)V4 trigonal pyramids,  an edgeedge with one O(1)LiV3 tetrahedra,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the fifth O site, O(5) is bonded to one V(2), one V(3), one V(5), and one V(6) atom to form OV4 tetrahedra that share  a cornercorner with one O(6)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(3)V4 tetrahedra,  a cornercorner with one O(2)V4 trigonal pyramid, corners with two equivalent O(7)V4 trigonal pyramids,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. In the sixth O site, O(6) is bonded to one V(3), one V(4), one V(5), and one V(6) atom to form distorted OV4 tetrahedra that share  a cornercorner with one O(1)LiV3 tetrahedra,  a cornercorner with one O(5)V4 tetrahedra, corners with two equivalent O(4)V4 tetrahedra,  a cornercorner with one O(7)V4 trigonal pyramid, corners with two equivalent O(2)V4 trigonal pyramids,  an edgeedge with one O(3)V4 tetrahedra,  an edgeedge with one O(5)V4 tetrahedra, and  an edgeedge with one O(7)V4 trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(4), one V(5), and one V(6) atom to form OV4 trigonal pyramids that share  a cornercorner with one O(4)V4 tetrahedra,  a cornercorner with one O(6)V4 tetrahedra, corners with two equivalent O(1)LiV3 tetrahedra, corners with two equivalent O(3)V4 tetrahedra, corners with two equivalent O(5)V4 tetrahedra,  an edgeedge with one O(4)V4 tetrahedra,  an edgeedge with one O(6)V4 tetrahedra, and  an edgeedge with one O(2)V4 trigonal pyramid. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(1), and one V(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one V(5) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one V(2), and one V(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one V(4), and one V(6) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), one V(5), and one V(6) atom. is represented by the CIF file [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.814
_cell_length_b   6.091
_cell_length_c   6.138
_cell_angle_alpha   100.733
_cell_angle_beta   100.403
_cell_angle_gamma   98.795
_symmetry_Int_Tables_number   1
_cell_volume   206.108
_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  0.994  0.981  0.001  1.0
  V  V1  1  0.301  0.608  0.134  1.0
  V  V2  1  0.850  0.662  0.381  1.0
  V  V3  1  0.595  0.158  0.341  1.0
  V  V4  1  0.404  0.852  0.664  1.0
  V  V5  1  0.152  0.348  0.604  1.0
  V  V6  1  0.686  0.409  0.870  1.0
  O  O7  1  0.932  0.657  0.077  1.0
  O  O8  1  0.566  0.414  0.178  1.0
  O  O9  1  0.579  0.829  0.412  1.0
  O  O10  1  0.188  0.575  0.421  1.0
  O  O11  1  0.822  0.427  0.588  1.0
  O  O12  1  0.413  0.178  0.587  1.0
  O  O13  1  0.420  0.594  0.830  1.0
  F  F14  1  0.323  0.949  0.094  1.0
  F  F15  1  0.934  0.108  0.319  1.0
  F  F16  1  0.058  0.889  0.674  1.0
  F  F17  1  0.682  0.063  0.900  1.0
  F  F18  1  0.099  0.298  0.926  1.0
[/CIF]
.