The compound described by LiV6O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(11) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), and three equivalent O(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(9), and three equivalent O(2) atoms. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(12), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(13), one O(6), one O(9), and two equivalent O(3) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), and two equivalent O(6) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), and two equivalent O(5) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.720
_cell_length_b   11.465
_cell_length_c   12.137
_cell_angle_alpha   110.465
_cell_angle_beta   89.833
_cell_angle_gamma   99.343
_symmetry_Int_Tables_number   1
_cell_volume   477.735
_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  0.812  0.370  0.764  1.0
  Li  Li1  1  0.188  0.630  0.236  1.0
  V  V2  1  0.773  0.448  0.074  1.0
  V  V3  1  0.227  0.552  0.926  1.0
  V  V4  1  0.220  0.507  0.612  1.0
  V  V5  1  0.780  0.493  0.388  1.0
  V  V6  1  0.947  0.103  0.958  1.0
  V  V7  1  0.053  0.897  0.042  1.0
  V  V8  1  0.426  0.145  0.484  1.0
  V  V9  1  0.574  0.855  0.516  1.0
  V  V10  1  0.928  0.146  0.284  1.0
  V  V11  1  0.072  0.854  0.716  1.0
  V  V12  1  0.436  0.128  0.769  1.0
  V  V13  1  0.564  0.872  0.231  1.0
  O  O14  1  0.755  0.494  0.928  1.0
  O  O15  1  0.245  0.506  0.072  1.0
  O  O16  1  0.248  0.502  0.430  1.0
  O  O17  1  0.752  0.498  0.570  1.0
  O  O18  1  0.936  0.127  0.441  1.0
  O  O19  1  0.064  0.873  0.559  1.0
  O  O20  1  0.444  0.112  0.931  1.0
  O  O21  1  0.556  0.888  0.069  1.0
  O  O22  1  0.959  0.081  0.783  1.0
  O  O23  1  0.041  0.919  0.217  1.0
  O  O24  1  0.449  0.103  0.305  1.0
  O  O25  1  0.551  0.897  0.695  1.0
  O  O26  1  0.739  0.504  0.244  1.0
  O  O27  1  0.261  0.496  0.756  1.0
  O  O28  1  0.855  0.290  0.028  1.0
  O  O29  1  0.145  0.710  0.972  1.0
  O  O30  1  0.344  0.303  0.551  1.0
  O  O31  1  0.656  0.697  0.449  1.0
  O  O32  1  0.851  0.306  0.321  1.0
  O  O33  1  0.149  0.694  0.679  1.0
  O  O34  1  0.357  0.285  0.803  1.0
  O  O35  1  0.643  0.715  0.197  1.0
  O  O36  1  0.959  0.082  0.107  1.0
  O  O37  1  0.041  0.918  0.893  1.0
  O  O38  1  0.457  0.086  0.600  1.0
  O  O39  1  0.543  0.914  0.400  1.0
[/CIF]
.
The compound described by LiV6O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(11) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), and three equivalent O(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(9), and three equivalent O(2) atoms. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(12), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(13), one O(6), one O(9), and two equivalent O(3) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), and two equivalent O(6) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), and two equivalent O(5) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiV6O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.720
_cell_length_b   11.465
_cell_length_c   12.137
_cell_angle_alpha   110.465
_cell_angle_beta   89.833
_cell_angle_gamma   99.343
_symmetry_Int_Tables_number   1
_cell_volume   477.735
_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  0.812  0.370  0.764  1.0
  Li  Li1  1  0.188  0.630  0.236  1.0
  V  V2  1  0.773  0.448  0.074  1.0
  V  V3  1  0.227  0.552  0.926  1.0
  V  V4  1  0.220  0.507  0.612  1.0
  V  V5  1  0.780  0.493  0.388  1.0
  V  V6  1  0.947  0.103  0.958  1.0
  V  V7  1  0.053  0.897  0.042  1.0
  V  V8  1  0.426  0.145  0.484  1.0
  V  V9  1  0.574  0.855  0.516  1.0
  V  V10  1  0.928  0.146  0.284  1.0
  V  V11  1  0.072  0.854  0.716  1.0
  V  V12  1  0.436  0.128  0.769  1.0
  V  V13  1  0.564  0.872  0.231  1.0
  O  O14  1  0.755  0.494  0.928  1.0
  O  O15  1  0.245  0.506  0.072  1.0
  O  O16  1  0.248  0.502  0.430  1.0
  O  O17  1  0.752  0.498  0.570  1.0
  O  O18  1  0.936  0.127  0.441  1.0
  O  O19  1  0.064  0.873  0.559  1.0
  O  O20  1  0.444  0.112  0.931  1.0
  O  O21  1  0.556  0.888  0.069  1.0
  O  O22  1  0.959  0.081  0.783  1.0
  O  O23  1  0.041  0.919  0.217  1.0
  O  O24  1  0.449  0.103  0.305  1.0
  O  O25  1  0.551  0.897  0.695  1.0
  O  O26  1  0.739  0.504  0.244  1.0
  O  O27  1  0.261  0.496  0.756  1.0
  O  O28  1  0.855  0.290  0.028  1.0
  O  O29  1  0.145  0.710  0.972  1.0
  O  O30  1  0.344  0.303  0.551  1.0
  O  O31  1  0.656  0.697  0.449  1.0
  O  O32  1  0.851  0.306  0.321  1.0
  O  O33  1  0.149  0.694  0.679  1.0
  O  O34  1  0.357  0.285  0.803  1.0
  O  O35  1  0.643  0.715  0.197  1.0
  O  O36  1  0.959  0.082  0.107  1.0
  O  O37  1  0.041  0.918  0.893  1.0
  O  O38  1  0.457  0.086  0.600  1.0
  O  O39  1  0.543  0.914  0.400  1.0
[/CIF]
.