The material described by LiV6F13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a T-shaped geometry to one F(12), one F(5), and one F(8) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(12), one F(13), one F(2), one F(6), and one F(8) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second V site, V(2) is bonded to one F(1), one F(13), one F(3), one F(4), and two equivalent F(7) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third V site, V(3) is bonded to one F(11), one F(2), one F(5), one F(8), and two equivalent F(9) atoms to form a mixture of corner, face, and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the fourth V site, V(4) is bonded to one F(1), one F(10), one F(4), one F(6), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth V site, V(5) is bonded to one F(10), one F(11), one F(13), one F(4), one F(8), and one F(9) atom to form a mixture of corner, face, and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the sixth V site, V(6) is bonded to one F(10), one F(11), one F(12), one F(5), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one V(6) and two equivalent V(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one V(5) atom. In the ninth F site, F(9) is bonded in a T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one V(3), one V(5), and one V(6) atom. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.068
_cell_length_b   8.117
_cell_length_c   10.234
_cell_angle_alpha   75.885
_cell_angle_beta   75.533
_cell_angle_gamma   62.436
_symmetry_Int_Tables_number   1
_cell_volume   568.822
_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  0.219  0.659  0.055  1.0
  Li  Li1  1  0.781  0.341  0.945  1.0
  V  V2  1  0.062  0.057  0.240  1.0
  V  V3  1  0.279  0.132  0.502  1.0
  V  V4  1  0.422  0.215  0.022  1.0
  V  V5  1  0.154  0.583  0.502  1.0
  V  V6  1  0.508  0.241  0.727  1.0
  V  V7  1  0.613  0.333  0.255  1.0
  V  V8  1  0.387  0.667  0.745  1.0
  V  V9  1  0.492  0.759  0.273  1.0
  V  V10  1  0.846  0.417  0.498  1.0
  V  V11  1  0.578  0.785  0.978  1.0
  V  V12  1  0.721  0.868  0.498  1.0
  V  V13  1  0.938  0.943  0.760  1.0
  F  F14  1  0.011  0.161  0.622  1.0
  F  F15  1  0.157  0.249  0.120  1.0
  F  F16  1  0.118  0.400  0.399  1.0
  F  F17  1  0.294  0.313  0.615  1.0
  F  F18  1  0.409  0.414  0.127  1.0
  F  F19  1  0.162  0.742  0.637  1.0
  F  F20  1  0.544  0.116  0.385  1.0
  F  F21  1  0.298  0.824  0.132  1.0
  F  F22  1  0.428  0.055  0.879  1.0
  F  F23  1  0.417  0.541  0.380  1.0
  F  F24  1  0.323  0.442  0.861  1.0
  F  F25  1  0.160  0.828  0.884  1.0
  F  F26  1  0.266  0.975  0.371  1.0
  F  F27  1  0.734  0.025  0.629  1.0
  F  F28  1  0.840  0.172  0.116  1.0
  F  F29  1  0.677  0.558  0.139  1.0
  F  F30  1  0.583  0.459  0.620  1.0
  F  F31  1  0.572  0.945  0.121  1.0
  F  F32  1  0.702  0.176  0.868  1.0
  F  F33  1  0.456  0.884  0.615  1.0
  F  F34  1  0.838  0.258  0.363  1.0
  F  F35  1  0.591  0.586  0.873  1.0
  F  F36  1  0.706  0.687  0.385  1.0
  F  F37  1  0.882  0.600  0.601  1.0
  F  F38  1  0.843  0.751  0.880  1.0
  F  F39  1  0.989  0.839  0.378  1.0
[/CIF]
.
The material described by LiV6F13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a T-shaped geometry to one F(12), one F(5), and one F(8) atom. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(12), one F(13), one F(2), one F(6), and one F(8) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the second V site, V(2) is bonded to one F(1), one F(13), one F(3), one F(4), and two equivalent F(7) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. In the third V site, V(3) is bonded to one F(11), one F(2), one F(5), one F(8), and two equivalent F(9) atoms to form a mixture of corner, face, and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the fourth V site, V(4) is bonded to one F(1), one F(10), one F(4), one F(6), and two equivalent F(3) atoms to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fifth V site, V(5) is bonded to one F(10), one F(11), one F(13), one F(4), one F(8), and one F(9) atom to form a mixture of corner, face, and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In the sixth V site, V(6) is bonded to one F(10), one F(11), one F(12), one F(5), one F(6), and one F(7) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. There are thirteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(4) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one V(2) and two equivalent V(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one V(2), one V(4), and one V(5) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one V(6) atom. In the sixth F site, F(6) is bonded in a trigonal planar geometry to one V(1), one V(4), and one V(6) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one V(6) and two equivalent V(2) atoms. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Li(1), one V(1), one V(3), and one V(5) atom. In the ninth F site, F(9) is bonded in a T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the tenth F site, F(10) is bonded in a trigonal planar geometry to one V(4), one V(5), and one V(6) atom. In the eleventh F site, F(11) is bonded in a T-shaped geometry to one V(3), one V(5), and one V(6) atom. In the twelfth F site, F(12) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one V(6) atom. In the thirteenth F site, F(13) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6F13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.068
_cell_length_b   8.117
_cell_length_c   10.234
_cell_angle_alpha   75.885
_cell_angle_beta   75.533
_cell_angle_gamma   62.436
_symmetry_Int_Tables_number   1
_cell_volume   568.822
_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  0.219  0.659  0.055  1.0
  Li  Li1  1  0.781  0.341  0.945  1.0
  V  V2  1  0.062  0.057  0.240  1.0
  V  V3  1  0.279  0.132  0.502  1.0
  V  V4  1  0.422  0.215  0.022  1.0
  V  V5  1  0.154  0.583  0.502  1.0
  V  V6  1  0.508  0.241  0.727  1.0
  V  V7  1  0.613  0.333  0.255  1.0
  V  V8  1  0.387  0.667  0.745  1.0
  V  V9  1  0.492  0.759  0.273  1.0
  V  V10  1  0.846  0.417  0.498  1.0
  V  V11  1  0.578  0.785  0.978  1.0
  V  V12  1  0.721  0.868  0.498  1.0
  V  V13  1  0.938  0.943  0.760  1.0
  F  F14  1  0.011  0.161  0.622  1.0
  F  F15  1  0.157  0.249  0.120  1.0
  F  F16  1  0.118  0.400  0.399  1.0
  F  F17  1  0.294  0.313  0.615  1.0
  F  F18  1  0.409  0.414  0.127  1.0
  F  F19  1  0.162  0.742  0.637  1.0
  F  F20  1  0.544  0.116  0.385  1.0
  F  F21  1  0.298  0.824  0.132  1.0
  F  F22  1  0.428  0.055  0.879  1.0
  F  F23  1  0.417  0.541  0.380  1.0
  F  F24  1  0.323  0.442  0.861  1.0
  F  F25  1  0.160  0.828  0.884  1.0
  F  F26  1  0.266  0.975  0.371  1.0
  F  F27  1  0.734  0.025  0.629  1.0
  F  F28  1  0.840  0.172  0.116  1.0
  F  F29  1  0.677  0.558  0.139  1.0
  F  F30  1  0.583  0.459  0.620  1.0
  F  F31  1  0.572  0.945  0.121  1.0
  F  F32  1  0.702  0.176  0.868  1.0
  F  F33  1  0.456  0.884  0.615  1.0
  F  F34  1  0.838  0.258  0.363  1.0
  F  F35  1  0.591  0.586  0.873  1.0
  F  F36  1  0.706  0.687  0.385  1.0
  F  F37  1  0.882  0.600  0.601  1.0
  F  F38  1  0.843  0.751  0.880  1.0
  F  F39  1  0.989  0.839  0.378  1.0
[/CIF]
.