The material structure described by Li4VCr3O8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cr(2), one Cr(3), one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(3), one O(1), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent V(1), two equivalent O(4), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(1), one O(4), one O(7), and one O(8) atom. V(1) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(2), one O(3), one O(5), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(1), one O(2), one O(4), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(3), two equivalent Cr(1), one O(7), and one O(8) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to one Li(2), two equivalent Li(3), one V(1), one Cr(2), one Cr(3), one O(5), and one O(7) 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 Cr(2), one O(3), and one O(5) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one Li(5), one V(1), one Cr(1), one Cr(3), one O(6), and one O(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), one O(2), and one O(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one V(1), one O(4), and one O(6) atom. In the seventh O site, O(7) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), two equivalent Cr(3), one O(1), and one O(2) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(5), two equivalent Li(3), one V(1), one Cr(1), one Cr(2), one O(1), and one O(4) atom. is represented by the CIF card [CIF]
data_Li4VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.962
_cell_length_c   10.717
_cell_angle_alpha   105.905
_cell_angle_beta   94.614
_cell_angle_gamma   107.032
_symmetry_Int_Tables_number   1
_cell_volume   298.318
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.503  0.627  0.749  1.0
  Li  Li2  1  0.497  0.373  0.251  1.0
  Li  Li3  1  0.999  0.749  0.501  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  0.499  0.124  0.749  1.0
  Li  Li6  1  0.501  0.876  0.251  1.0
  Li  Li7  1  0.001  0.251  0.499  1.0
  V  V8  1  0.748  0.309  0.876  1.0
  V  V9  1  0.252  0.691  0.124  1.0
  Cr  Cr10  1  0.750  0.064  0.375  1.0
  Cr  Cr11  1  0.750  0.810  0.874  1.0
  Cr  Cr12  1  0.250  0.436  0.625  1.0
  Cr  Cr13  1  0.250  0.190  0.126  1.0
  Cr  Cr14  1  0.750  0.564  0.375  1.0
  Cr  Cr15  1  0.250  0.936  0.625  1.0
  O  O16  1  0.397  0.160  0.439  1.0
  O  O17  1  0.104  0.468  0.311  1.0
  O  O18  1  0.394  0.906  0.938  1.0
  O  O19  1  0.106  0.212  0.810  1.0
  O  O20  1  0.603  0.840  0.561  1.0
  O  O21  1  0.896  0.532  0.689  1.0
  O  O22  1  0.896  0.285  0.190  1.0
  O  O23  1  0.610  0.593  0.059  1.0
  O  O24  1  0.397  0.660  0.440  1.0
  O  O25  1  0.103  0.967  0.311  1.0
  O  O26  1  0.390  0.407  0.941  1.0
  O  O27  1  0.104  0.715  0.810  1.0
  O  O28  1  0.897  0.033  0.689  1.0
  O  O29  1  0.894  0.788  0.190  1.0
  O  O30  1  0.603  0.340  0.560  1.0
  O  O31  1  0.606  0.094  0.062  1.0
[/CIF]
.
The material structure described by Li4VCr3O8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Cr(2), one Cr(3), one O(1), one O(2), one O(3), one O(5), and one O(7) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(3), one O(1), one O(7), two equivalent O(2), and two equivalent O(8) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to two equivalent V(1), two equivalent O(4), and two equivalent O(6) atoms. In the fifth Li site, Li(5) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(1), one O(4), one O(7), and one O(8) atom. V(1) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one O(2), one O(3), one O(4), one O(6), and one O(8) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(5), one O(4), one O(7), one O(8), and two equivalent O(1) atoms. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(2), one O(3), one O(5), and one O(8) atom. In the third Cr site, Cr(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one O(1), one O(2), one O(4), and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(3), two equivalent Cr(1), one O(7), and one O(8) atom. In the second O site, O(2) is bonded in a 8-coordinate geometry to one Li(2), two equivalent Li(3), one V(1), one Cr(2), one Cr(3), one O(5), and one O(7) 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 Cr(2), one O(3), and one O(5) atom. In the fourth O site, O(4) is bonded in a 8-coordinate geometry to one Li(1), one Li(4), one Li(5), one V(1), one Cr(1), one Cr(3), one O(6), and one O(8) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Cr(2), one O(2), and one O(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(4), one V(1), one O(4), and one O(6) atom. In the seventh O site, O(7) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(5), one Cr(1), two equivalent Cr(3), one O(1), and one O(2) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(5), two equivalent Li(3), one V(1), one Cr(1), one Cr(2), one O(1), and one O(4) atom. is represented by the CIF card [CIF]
data_Li4VCr3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.157
_cell_length_b   5.962
_cell_length_c   10.717
_cell_angle_alpha   105.905
_cell_angle_beta   94.614
_cell_angle_gamma   107.032
_symmetry_Int_Tables_number   1
_cell_volume   298.318
_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  0.000  0.000  0.000  1.0
  Li  Li1  1  0.503  0.627  0.749  1.0
  Li  Li2  1  0.497  0.373  0.251  1.0
  Li  Li3  1  0.999  0.749  0.501  1.0
  Li  Li4  1  0.000  0.500  0.000  1.0
  Li  Li5  1  0.499  0.124  0.749  1.0
  Li  Li6  1  0.501  0.876  0.251  1.0
  Li  Li7  1  0.001  0.251  0.499  1.0
  V  V8  1  0.748  0.309  0.876  1.0
  V  V9  1  0.252  0.691  0.124  1.0
  Cr  Cr10  1  0.750  0.064  0.375  1.0
  Cr  Cr11  1  0.750  0.810  0.874  1.0
  Cr  Cr12  1  0.250  0.436  0.625  1.0
  Cr  Cr13  1  0.250  0.190  0.126  1.0
  Cr  Cr14  1  0.750  0.564  0.375  1.0
  Cr  Cr15  1  0.250  0.936  0.625  1.0
  O  O16  1  0.397  0.160  0.439  1.0
  O  O17  1  0.104  0.468  0.311  1.0
  O  O18  1  0.394  0.906  0.938  1.0
  O  O19  1  0.106  0.212  0.810  1.0
  O  O20  1  0.603  0.840  0.561  1.0
  O  O21  1  0.896  0.532  0.689  1.0
  O  O22  1  0.896  0.285  0.190  1.0
  O  O23  1  0.610  0.593  0.059  1.0
  O  O24  1  0.397  0.660  0.440  1.0
  O  O25  1  0.103  0.967  0.311  1.0
  O  O26  1  0.390  0.407  0.941  1.0
  O  O27  1  0.104  0.715  0.810  1.0
  O  O28  1  0.897  0.033  0.689  1.0
  O  O29  1  0.894  0.788  0.190  1.0
  O  O30  1  0.603  0.340  0.560  1.0
  O  O31  1  0.606  0.094  0.062  1.0
[/CIF]
.