The material structure described by Li2CrO4 is Chalcostibite-like 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 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Cr(2)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CrO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.286
_cell_length_c   7.773
_cell_angle_alpha   82.786
_cell_angle_beta   109.186
_cell_angle_gamma   114.054
_symmetry_Int_Tables_number   1
_cell_volume   184.025
_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  0.769  0.284  0.178  1.0
  Li  Li1  1  0.980  0.741  0.466  1.0
  Li  Li2  1  0.059  0.277  0.565  1.0
  Li  Li3  1  0.199  0.237  0.979  1.0
  Cr  Cr4  1  0.406  0.718  0.248  1.0
  Cr  Cr5  1  0.596  0.277  0.748  1.0
  O  O6  1  0.259  0.875  0.072  1.0
  O  O7  1  0.502  0.487  0.185  1.0
  O  O8  1  0.715  0.961  0.378  1.0
  O  O9  1  0.148  0.544  0.356  1.0
  O  O10  1  0.824  0.458  0.628  1.0
  O  O11  1  0.322  0.019  0.617  1.0
  O  O12  1  0.425  0.451  0.797  1.0
  O  O13  1  0.793  0.180  0.944  1.0
[/CIF]
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The material structure described by Li2CrO4 is Chalcostibite-like 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 4-coordinate geometry to one O(2), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Li(3)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Cr(2)O4 tetrahedra, corners with two equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Cr(2)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with two equivalent Cr(2)O4 tetrahedra, and  a cornercorner with one Li(3)O5 trigonal bipyramid. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and corners with two equivalent Li(3)O5 trigonal bipyramids. In the second Cr site, Cr(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CrO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O5 trigonal bipyramid, and  an edgeedge with one Li(3)O5 trigonal bipyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(4) and one Cr(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(3), and one Cr(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Li(3), and one Cr(2) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Li(2), one Li(3), and one Cr(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Cr(2) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(4), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   5.286
_cell_length_c   7.773
_cell_angle_alpha   82.786
_cell_angle_beta   109.186
_cell_angle_gamma   114.054
_symmetry_Int_Tables_number   1
_cell_volume   184.025
_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  0.769  0.284  0.178  1.0
  Li  Li1  1  0.980  0.741  0.466  1.0
  Li  Li2  1  0.059  0.277  0.565  1.0
  Li  Li3  1  0.199  0.237  0.979  1.0
  Cr  Cr4  1  0.406  0.718  0.248  1.0
  Cr  Cr5  1  0.596  0.277  0.748  1.0
  O  O6  1  0.259  0.875  0.072  1.0
  O  O7  1  0.502  0.487  0.185  1.0
  O  O8  1  0.715  0.961  0.378  1.0
  O  O9  1  0.148  0.544  0.356  1.0
  O  O10  1  0.824  0.458  0.628  1.0
  O  O11  1  0.322  0.019  0.617  1.0
  O  O12  1  0.425  0.451  0.797  1.0
  O  O13  1  0.793  0.180  0.944  1.0
[/CIF]
.