The material described by Li4V3CrO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), one V(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one V(4), one Cr(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), one O(7), one O(8), and two equivalent O(1) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 4-coordinate geometry to two equivalent Li(4), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. Cr(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(4), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Li(4), one V(2), one V(3), one Cr(1), one O(1), and one O(8) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one V(2), one V(4), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one O(6), and one O(7) atom. In the fourth O site, O(4) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), one V(3), one V(4), one Cr(1), one O(2), and one O(7) atom. In the fifth O site, O(5) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one V(2), two equivalent V(1), one O(6), and one O(8) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one Cr(1), one O(3), and one O(5) atom. In the seventh O site, O(7) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(4), one V(2), two equivalent V(1), one Cr(1), one O(3), and one O(4) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(4), one V(2), one V(3), one V(4), one O(1), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.983
_cell_length_c   10.783
_cell_angle_alpha   106.022
_cell_angle_beta   94.592
_cell_angle_gamma   106.851
_symmetry_Int_Tables_number   1
_cell_volume   302.555
_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  0.750  0.437  0.126  1.0
  Li  Li1  1  0.254  0.066  0.873  1.0
  Li  Li2  1  0.250  0.811  0.374  1.0
  Li  Li3  1  0.750  0.189  0.626  1.0
  Li  Li4  1  0.746  0.934  0.127  1.0
  Li  Li5  1  0.250  0.563  0.874  1.0
  Li  Li6  1  0.253  0.318  0.374  1.0
  Li  Li7  1  0.747  0.682  0.626  1.0
  V  V8  1  0.498  0.749  0.000  1.0
  V  V9  1  1.000  0.125  0.250  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.502  0.251  1.000  1.0
  V  V12  1  0.000  0.875  0.750  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  Cr  Cr14  1  0.001  0.627  0.250  1.0
  Cr  Cr15  1  0.999  0.373  0.750  1.0
  O  O16  1  0.140  0.589  0.566  1.0
  O  O17  1  0.856  0.904  0.436  1.0
  O  O18  1  0.141  0.344  0.065  1.0
  O  O19  1  0.859  0.656  0.935  1.0
  O  O20  1  0.351  0.274  0.688  1.0
  O  O21  1  0.642  0.974  0.814  1.0
  O  O22  1  0.649  0.726  0.312  1.0
  O  O23  1  0.358  0.026  0.186  1.0
  O  O24  1  0.144  0.096  0.564  1.0
  O  O25  1  0.860  0.411  0.434  1.0
  O  O26  1  0.143  0.845  0.065  1.0
  O  O27  1  0.857  0.155  0.935  1.0
  O  O28  1  0.648  0.473  0.813  1.0
  O  O29  1  0.641  0.225  0.316  1.0
  O  O30  1  0.359  0.775  0.684  1.0
  O  O31  1  0.352  0.527  0.187  1.0
[/CIF]
.
The material described by Li4V3CrO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), one V(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one V(4), one Cr(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), one O(7), one O(8), and two equivalent O(1) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 4-coordinate geometry to two equivalent Li(4), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. Cr(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(4), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Li(4), one V(2), one V(3), one Cr(1), one O(1), and one O(8) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one V(2), one V(4), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one O(6), and one O(7) atom. In the fourth O site, O(4) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), one V(3), one V(4), one Cr(1), one O(2), and one O(7) atom. In the fifth O site, O(5) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one V(2), two equivalent V(1), one O(6), and one O(8) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one Cr(1), one O(3), and one O(5) atom. In the seventh O site, O(7) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(4), one V(2), two equivalent V(1), one Cr(1), one O(3), and one O(4) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(4), one V(2), one V(3), one V(4), one O(1), and one O(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.983
_cell_length_c   10.783
_cell_angle_alpha   106.022
_cell_angle_beta   94.592
_cell_angle_gamma   106.851
_symmetry_Int_Tables_number   1
_cell_volume   302.555
_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  0.750  0.437  0.126  1.0
  Li  Li1  1  0.254  0.066  0.873  1.0
  Li  Li2  1  0.250  0.811  0.374  1.0
  Li  Li3  1  0.750  0.189  0.626  1.0
  Li  Li4  1  0.746  0.934  0.127  1.0
  Li  Li5  1  0.250  0.563  0.874  1.0
  Li  Li6  1  0.253  0.318  0.374  1.0
  Li  Li7  1  0.747  0.682  0.626  1.0
  V  V8  1  0.498  0.749  0.000  1.0
  V  V9  1  1.000  0.125  0.250  1.0
  V  V10  1  0.500  0.500  0.500  1.0
  V  V11  1  0.502  0.251  1.000  1.0
  V  V12  1  0.000  0.875  0.750  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  Cr  Cr14  1  0.001  0.627  0.250  1.0
  Cr  Cr15  1  0.999  0.373  0.750  1.0
  O  O16  1  0.140  0.589  0.566  1.0
  O  O17  1  0.856  0.904  0.436  1.0
  O  O18  1  0.141  0.344  0.065  1.0
  O  O19  1  0.859  0.656  0.935  1.0
  O  O20  1  0.351  0.274  0.688  1.0
  O  O21  1  0.642  0.974  0.814  1.0
  O  O22  1  0.649  0.726  0.312  1.0
  O  O23  1  0.358  0.026  0.186  1.0
  O  O24  1  0.144  0.096  0.564  1.0
  O  O25  1  0.860  0.411  0.434  1.0
  O  O26  1  0.143  0.845  0.065  1.0
  O  O27  1  0.857  0.155  0.935  1.0
  O  O28  1  0.648  0.473  0.813  1.0
  O  O29  1  0.641  0.225  0.316  1.0
  O  O30  1  0.359  0.775  0.684  1.0
  O  O31  1  0.352  0.527  0.187  1.0
[/CIF]
.