The material structure described by Li4VCr(WO6)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. Cr(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one W(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OLi3CrW trigonal bipyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one W(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one W(2), and one Cr(1) atom to form distorted edge-sharing OLi3CrW trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one W(1) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(4), one W(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OLi3CrW trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Cr(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Li4VCr(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.424
_cell_length_c   7.461
_cell_angle_alpha   94.542
_cell_angle_beta   89.987
_cell_angle_gamma   90.096
_symmetry_Int_Tables_number   1
_cell_volume   207.377
_cell_formula_units_Z   1
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
  Cr  Cr0  1  1.000  0.013  0.994  1.0
  Li  Li1  1  0.998  0.426  0.787  1.0
  Li  Li2  1  0.493  0.064  0.213  1.0
  Li  Li3  1  0.997  0.591  0.203  1.0
  Li  Li4  1  0.509  0.938  0.784  1.0
  O  O5  1  0.310  0.816  0.558  1.0
  O  O6  1  0.112  0.000  0.251  1.0
  O  O7  1  0.320  0.203  0.935  1.0
  O  O8  1  0.204  0.321  0.554  1.0
  O  O9  1  0.808  0.332  0.048  1.0
  O  O10  1  0.381  0.502  0.250  1.0
  O  O11  1  0.616  0.519  0.737  1.0
  O  O12  1  0.191  0.691  0.939  1.0
  O  O13  1  0.803  0.704  0.436  1.0
  O  O14  1  0.683  0.817  0.048  1.0
  O  O15  1  0.883  0.033  0.737  1.0
  O  O16  1  0.688  0.212  0.437  1.0
  V  V17  1  0.502  0.473  0.512  1.0
  W  W18  1  0.010  0.979  0.496  1.0
  W  W19  1  0.492  0.510  0.011  1.0
[/CIF]
.
The material structure described by Li4VCr(WO6)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(11), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(7), and one O(8) atom. V(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-39°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. Cr(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one W(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Cr(1) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one W(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OLi3CrW trigonal bipyramids. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one W(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one W(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one W(2), and one Cr(1) atom to form distorted edge-sharing OLi3CrW trigonal bipyramids. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one W(1) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(4), one W(2), and one Cr(1) atom to form a mixture of distorted corner and edge-sharing OLi3CrW trigonal bipyramids. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Cr(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(2), one V(1), and one W(1) atom. is represented by the CIF file [CIF]
data_Li4VCr(WO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.141
_cell_length_b   5.424
_cell_length_c   7.461
_cell_angle_alpha   94.542
_cell_angle_beta   89.987
_cell_angle_gamma   90.096
_symmetry_Int_Tables_number   1
_cell_volume   207.377
_cell_formula_units_Z   1
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
  Cr  Cr0  1  1.000  0.013  0.994  1.0
  Li  Li1  1  0.998  0.426  0.787  1.0
  Li  Li2  1  0.493  0.064  0.213  1.0
  Li  Li3  1  0.997  0.591  0.203  1.0
  Li  Li4  1  0.509  0.938  0.784  1.0
  O  O5  1  0.310  0.816  0.558  1.0
  O  O6  1  0.112  0.000  0.251  1.0
  O  O7  1  0.320  0.203  0.935  1.0
  O  O8  1  0.204  0.321  0.554  1.0
  O  O9  1  0.808  0.332  0.048  1.0
  O  O10  1  0.381  0.502  0.250  1.0
  O  O11  1  0.616  0.519  0.737  1.0
  O  O12  1  0.191  0.691  0.939  1.0
  O  O13  1  0.803  0.704  0.436  1.0
  O  O14  1  0.683  0.817  0.048  1.0
  O  O15  1  0.883  0.033  0.737  1.0
  O  O16  1  0.688  0.212  0.437  1.0
  V  V17  1  0.502  0.473  0.512  1.0
  W  W18  1  0.010  0.979  0.496  1.0
  W  W19  1  0.492  0.510  0.011  1.0
[/CIF]
.