The compound described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one O(4), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. 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(6), one F(3), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-56°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(7), one F(2), one F(4), and one F(5) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(3)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and edges with two equivalent Li(1)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth V site, V(5) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(1)O4F2 octahedra, corners with two equivalent Li(1)O3F trigonal pyramids,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(6) atom. is represented by the CIF card [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.817
_cell_length_b   5.695
_cell_length_c   7.831
_cell_angle_alpha   85.148
_cell_angle_beta   89.545
_cell_angle_gamma   89.692
_symmetry_Int_Tables_number   1
_cell_volume   214.023
_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  0.500  0.230  0.765  1.0
  V  V1  1  0.488  0.517  0.011  1.0
  V  V2  1  0.525  0.800  0.649  1.0
  V  V3  1  0.539  0.171  0.340  1.0
  V  V4  1  0.988  0.350  0.674  1.0
  V  V5  1  0.973  0.662  0.315  1.0
  V  V6  1  0.984  0.004  0.017  1.0
  O  O7  1  0.192  0.714  0.095  1.0
  O  O8  1  0.315  0.524  0.763  1.0
  O  O9  1  0.691  0.469  0.229  1.0
  O  O10  1  0.692  0.129  0.577  1.0
  O  O11  1  0.793  0.973  0.233  1.0
  O  O12  1  0.797  0.298  0.901  1.0
  O  O13  1  0.813  0.630  0.554  1.0
  F  F14  1  0.198  0.361  0.431  1.0
  F  F15  1  0.204  0.028  0.774  1.0
  F  F16  1  0.298  0.206  0.110  1.0
  F  F17  1  0.301  0.865  0.428  1.0
  F  F18  1  0.696  0.806  0.894  1.0
[/CIF]
.
The compound described by LiV6O7F5 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2), one O(4), one O(6), and one F(2) atom to form distorted LiO3F trigonal pyramids that share  a cornercorner with one V(2)O3F3 octahedra,  a cornercorner with one V(3)O3F3 octahedra, corners with two equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and edges with two equivalent V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 58-67°. 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(6), one F(3), and one F(5) atom to form VO4F2 octahedra that share corners with two equivalent V(4)O4F2 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(6)O3F3 octahedra,  an edgeedge with one V(2)O3F3 octahedra,  an edgeedge with one V(3)O3F3 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 41-56°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(7), one F(2), one F(4), and one F(5) atom to form distorted VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(5)O4F2 octahedra, corners with four equivalent V(4)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(3)O3F3 octahedra,  an edgeedge with one V(1)O4F2 octahedra, and  an edgeedge with one Li(1)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(4) atom to form VO3F3 octahedra that share corners with two equivalent V(6)O3F3 octahedra, corners with two equivalent V(4)O4F2 octahedra, corners with four equivalent V(5)O4F2 octahedra,  a cornercorner with one Li(1)O3F trigonal pyramid,  an edgeedge with one V(2)O3F3 octahedra, and  an edgeedge with one V(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form VO4F2 octahedra that share corners with two equivalent V(3)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(2)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra,  an edgeedge with one V(5)O4F2 octahedra, and edges with two equivalent Li(1)O3F trigonal pyramids. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth V site, V(5) is bonded to one O(1), one O(3), one O(5), one O(7), one F(1), and one F(4) atom to form VO4F2 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(1)O4F2 octahedra, corners with four equivalent V(3)O3F3 octahedra,  an edgeedge with one V(6)O3F3 octahedra, and  an edgeedge with one V(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one O(6), one F(2), one F(3), and one F(5) atom to form VO3F3 octahedra that share corners with two equivalent V(2)O3F3 octahedra, corners with two equivalent V(3)O3F3 octahedra, corners with four equivalent V(1)O4F2 octahedra, corners with two equivalent Li(1)O3F trigonal pyramids,  an edgeedge with one V(4)O4F2 octahedra, and  an edgeedge with one V(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1), one V(5), and one V(6) atom. In the second O site, O(2) is bonded to one Li(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one V(3), and one V(5) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Li(1), one V(2), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(5), and one V(6) atom. In the sixth O site, O(6) is bonded to one Li(1), one V(1), one V(4), and one V(6) atom to form a mixture of distorted corner and edge-sharing OLiV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one V(5) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Li(1), one V(2), one V(4), and one V(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one V(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(5) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(6) atom. is represented by the CIF card [CIF]
data_LiV6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.817
_cell_length_b   5.695
_cell_length_c   7.831
_cell_angle_alpha   85.148
_cell_angle_beta   89.545
_cell_angle_gamma   89.692
_symmetry_Int_Tables_number   1
_cell_volume   214.023
_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  0.500  0.230  0.765  1.0
  V  V1  1  0.488  0.517  0.011  1.0
  V  V2  1  0.525  0.800  0.649  1.0
  V  V3  1  0.539  0.171  0.340  1.0
  V  V4  1  0.988  0.350  0.674  1.0
  V  V5  1  0.973  0.662  0.315  1.0
  V  V6  1  0.984  0.004  0.017  1.0
  O  O7  1  0.192  0.714  0.095  1.0
  O  O8  1  0.315  0.524  0.763  1.0
  O  O9  1  0.691  0.469  0.229  1.0
  O  O10  1  0.692  0.129  0.577  1.0
  O  O11  1  0.793  0.973  0.233  1.0
  O  O12  1  0.797  0.298  0.901  1.0
  O  O13  1  0.813  0.630  0.554  1.0
  F  F14  1  0.198  0.361  0.431  1.0
  F  F15  1  0.204  0.028  0.774  1.0
  F  F16  1  0.298  0.206  0.110  1.0
  F  F17  1  0.301  0.865  0.428  1.0
  F  F18  1  0.696  0.806  0.894  1.0
[/CIF]
.