The crystal structure described by Li2WCrO6 is Ilmenite-derived structured and 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(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second W site, W(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), 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 36-37°. In the second Cr site, Cr(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form CrO6 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 35-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one W(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. 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(2), and one Cr(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one W(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one W(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one W(2), and one Cr(1) atom to form distorted corner-sharing OLi2CrW tetrahedra. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one W(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Cr(1) atom. In the eleventh O site, O(11) 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 twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(2), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.100
_cell_length_c   5.363
_cell_angle_alpha   90.050
_cell_angle_beta   118.346
_cell_angle_gamma   119.964
_symmetry_Int_Tables_number   1
_cell_volume   101.034
_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  0.005  0.002  0.007  1.0
  Li  Li1  1  0.569  0.284  0.854  1.0
  Li  Li2  1  0.564  0.782  0.345  1.0
  O  O3  1  0.870  0.130  0.233  1.0
  O  O4  1  0.104  0.741  0.234  1.0
  O  O5  1  0.493  0.363  0.233  1.0
  O  O6  1  0.494  0.630  0.733  1.0
  O  O7  1  0.868  0.238  0.732  1.0
  O  O8  1  0.101  0.864  0.732  1.0
  W  W9  1  0.003  0.501  0.505  1.0
[/CIF]
.
The crystal structure described by Li2WCrO6 is Ilmenite-derived structured and 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(1), one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(11), one O(2), one O(4), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(2), one O(4), one O(5), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(12), one O(3), one O(6), one O(7), and one O(9) atom. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form WO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-37°. In the second W site, W(2) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-37°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(10), one O(11), one O(4), one O(6), 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 36-37°. In the second Cr site, Cr(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form CrO6 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 35-37°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one W(1), and one Cr(1) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. 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(2), and one Cr(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(4), one W(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one W(1), and one Cr(2) atom to form a mixture of distorted edge and corner-sharing OLi2CrW tetrahedra. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one W(2), and one Cr(1) atom to form distorted corner-sharing OLi2CrW tetrahedra. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(2), and one Cr(1) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one W(1), and one Cr(2) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one W(2), and one Cr(1) atom. In the eleventh O site, O(11) 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 twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(2), and one Cr(2) atom. is represented by the CIF card [CIF]
data_Li2CrWO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.100
_cell_length_c   5.363
_cell_angle_alpha   90.050
_cell_angle_beta   118.346
_cell_angle_gamma   119.964
_symmetry_Int_Tables_number   1
_cell_volume   101.034
_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  0.005  0.002  0.007  1.0
  Li  Li1  1  0.569  0.284  0.854  1.0
  Li  Li2  1  0.564  0.782  0.345  1.0
  O  O3  1  0.870  0.130  0.233  1.0
  O  O4  1  0.104  0.741  0.234  1.0
  O  O5  1  0.493  0.363  0.233  1.0
  O  O6  1  0.494  0.630  0.733  1.0
  O  O7  1  0.868  0.238  0.732  1.0
  O  O8  1  0.101  0.864  0.732  1.0
  W  W9  1  0.003  0.501  0.505  1.0
[/CIF]
.