The crystal structure described by LiV3O3F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(10), one F(12), one F(6), and one F(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one F(13), one F(2), and one F(3) atom. There are six 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(2), and one F(6) atom to form distorted VO3F3 octahedra that share  a cornercorner with one V(6)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 16-42°. In the second V site, V(2) is bonded to one O(2), one O(4), one F(11), one F(3), one F(7), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(4)O2F4 octahedra, and corners with two equivalent V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-38°. In the third V site, V(3) is bonded to one O(3), one F(12), one F(5), one F(6), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and corners with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-48°. In the fourth V site, V(4) is bonded to one O(2), one O(5), one F(10), one F(11), one F(4), and one F(9) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)O2F4 octahedra, and corners with two equivalent V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 15-41°. In the fifth V site, V(5) is bonded to one O(1), one O(6), one F(12), one F(13), one F(14), and one F(5) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(6)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the sixth V site, V(6) is bonded to one O(4), one O(5), one F(1), one F(14), one F(3), and one F(4) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(5)O2F4 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent V(2)O2F4 octahedra, and corners with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(1) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(6) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(4) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Li(1) and one V(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to one V(2) and one V(3) atom. In the ninth F site, F(9) is bonded in a linear geometry to one V(3) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Li(1) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a linear geometry to one V(5) and one V(6) atom. is represented by the CIF file [CIF]
data_LiV3O3F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.428
_cell_length_c   8.435
_cell_angle_alpha   77.735
_cell_angle_beta   116.055
_cell_angle_gamma   119.358
_symmetry_Int_Tables_number   1
_cell_volume   364.209
_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  0.829  0.515  0.500  1.0
  Li  Li1  1  0.063  0.001  1.000  1.0
  V  V2  1  0.262  0.007  0.485  1.0
  V  V3  1  0.978  0.502  0.984  1.0
  V  V4  1  0.251  0.482  0.501  1.0
  V  V5  1  0.508  0.481  0.016  1.0
  V  V6  1  0.768  0.992  0.516  1.0
  V  V7  1  0.515  0.020  1.000  1.0
  O  O8  1  0.952  0.932  0.503  1.0
  O  O9  1  0.756  0.570  0.002  1.0
  O  O10  1  0.304  0.288  0.499  1.0
  O  O11  1  0.762  0.210  0.995  1.0
  O  O12  1  0.407  0.218  0.003  1.0
  O  O13  1  0.517  0.067  0.497  1.0
  F  F14  1  0.350  0.983  0.746  1.0
  F  F15  1  0.099  0.993  0.238  1.0
  F  F16  1  0.189  0.807  0.997  1.0
  F  F17  1  0.551  0.777  0.006  1.0
  F  F18  1  0.537  0.705  0.512  1.0
  F  F19  1  0.142  0.697  0.491  1.0
  F  F20  1  0.863  0.507  0.735  1.0
  F  F21  1  0.121  0.510  0.247  1.0
  F  F22  1  0.359  0.509  0.755  1.0
  F  F23  1  0.614  0.502  0.259  1.0
  F  F24  1  0.203  0.420  0.999  1.0
  F  F25  1  0.942  0.301  0.499  1.0
  F  F26  1  0.866  0.009  0.761  1.0
  F  F27  1  0.605  0.995  0.253  1.0
[/CIF]
.
The crystal structure described by LiV3O3F7 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(10), one F(12), one F(6), and one F(7) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(5), one F(13), one F(2), and one F(3) atom. There are six 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(2), and one F(6) atom to form distorted VO3F3 octahedra that share  a cornercorner with one V(6)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 16-42°. In the second V site, V(2) is bonded to one O(2), one O(4), one F(11), one F(3), one F(7), and one F(8) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(4)O2F4 octahedra, and corners with two equivalent V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 7-38°. In the third V site, V(3) is bonded to one O(3), one F(12), one F(5), one F(6), one F(8), and one F(9) atom to form VOF5 octahedra that share  a cornercorner with one V(2)O2F4 octahedra,  a cornercorner with one V(4)O2F4 octahedra, corners with two equivalent V(5)O2F4 octahedra, and corners with two equivalent V(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 7-48°. In the fourth V site, V(4) is bonded to one O(2), one O(5), one F(10), one F(11), one F(4), and one F(9) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)OF5 octahedra, corners with two equivalent V(2)O2F4 octahedra, and corners with two equivalent V(6)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 15-41°. In the fifth V site, V(5) is bonded to one O(1), one O(6), one F(12), one F(13), one F(14), and one F(5) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(6)O2F4 octahedra, corners with two equivalent V(1)O3F3 octahedra, and corners with two equivalent V(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 13-48°. In the sixth V site, V(6) is bonded to one O(4), one O(5), one F(1), one F(14), one F(3), and one F(4) atom to form distorted VO2F4 octahedra that share  a cornercorner with one V(5)O2F4 octahedra,  a cornercorner with one V(1)O3F3 octahedra, corners with two equivalent V(2)O2F4 octahedra, and corners with two equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 13-41°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(5) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(1) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(2) and one V(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(2), and one V(6) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(4) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one V(3) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Li(1) and one V(2) atom. In the eighth F site, F(8) is bonded in a linear geometry to one V(2) and one V(3) atom. In the ninth F site, F(9) is bonded in a linear geometry to one V(3) and one V(4) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one Li(1) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the twelfth F site, F(12) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one Li(2) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a linear geometry to one V(5) and one V(6) atom. is represented by the CIF file [CIF]
data_LiV3O3F7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.424
_cell_length_b   7.428
_cell_length_c   8.435
_cell_angle_alpha   77.735
_cell_angle_beta   116.055
_cell_angle_gamma   119.358
_symmetry_Int_Tables_number   1
_cell_volume   364.209
_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  0.829  0.515  0.500  1.0
  Li  Li1  1  0.063  0.001  1.000  1.0
  V  V2  1  0.262  0.007  0.485  1.0
  V  V3  1  0.978  0.502  0.984  1.0
  V  V4  1  0.251  0.482  0.501  1.0
  V  V5  1  0.508  0.481  0.016  1.0
  V  V6  1  0.768  0.992  0.516  1.0
  V  V7  1  0.515  0.020  1.000  1.0
  O  O8  1  0.952  0.932  0.503  1.0
  O  O9  1  0.756  0.570  0.002  1.0
  O  O10  1  0.304  0.288  0.499  1.0
  O  O11  1  0.762  0.210  0.995  1.0
  O  O12  1  0.407  0.218  0.003  1.0
  O  O13  1  0.517  0.067  0.497  1.0
  F  F14  1  0.350  0.983  0.746  1.0
  F  F15  1  0.099  0.993  0.238  1.0
  F  F16  1  0.189  0.807  0.997  1.0
  F  F17  1  0.551  0.777  0.006  1.0
  F  F18  1  0.537  0.705  0.512  1.0
  F  F19  1  0.142  0.697  0.491  1.0
  F  F20  1  0.863  0.507  0.735  1.0
  F  F21  1  0.121  0.510  0.247  1.0
  F  F22  1  0.359  0.509  0.755  1.0
  F  F23  1  0.614  0.502  0.259  1.0
  F  F24  1  0.203  0.420  0.999  1.0
  F  F25  1  0.942  0.301  0.499  1.0
  F  F26  1  0.866  0.009  0.761  1.0
  F  F27  1  0.605  0.995  0.253  1.0
[/CIF]
.