The material structure described by Li2CrO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with four equivalent Cr(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. 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 three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.390
_cell_length_c   7.769
_cell_angle_alpha   83.203
_cell_angle_beta   109.093
_cell_angle_gamma   114.816
_symmetry_Int_Tables_number   1
_cell_volume   185.680
_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  0.755  0.283  0.181  1.0
  Li  Li1  1  0.964  0.741  0.443  1.0
  Li  Li2  1  0.036  0.259  0.557  1.0
  Li  Li3  1  0.245  0.717  0.819  1.0
  Cr  Cr4  1  0.407  0.706  0.247  1.0
  Cr  Cr5  1  0.593  0.294  0.753  1.0
  O  O6  1  0.239  0.811  0.054  1.0
  O  O7  1  0.551  0.504  0.211  1.0
  O  O8  1  0.703  0.976  0.368  1.0
  O  O9  1  0.155  0.539  0.360  1.0
  O  O10  1  0.845  0.461  0.640  1.0
  O  O11  1  0.297  0.024  0.632  1.0
  O  O12  1  0.449  0.496  0.789  1.0
  O  O13  1  0.761  0.189  0.946  1.0
[/CIF]
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The material structure described by Li2CrO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Li(2)O5 square pyramid, corners with four equivalent Cr(1)O4 tetrahedra, and edges with two equivalent Li(2)O5 square pyramids. In the second Li site, Li(2) is bonded to one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share corners with three equivalent Cr(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, edges with two equivalent Li(2)O5 square pyramids,  an edgeedge with one Cr(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. 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 three equivalent Li(2)O5 square pyramids, corners with four equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Li(2)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Li(1), one Li(2), and one Cr(1) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Cr(1) atom. is represented by the CIF file [CIF]
data_Li2CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.170
_cell_length_b   5.390
_cell_length_c   7.769
_cell_angle_alpha   83.203
_cell_angle_beta   109.093
_cell_angle_gamma   114.816
_symmetry_Int_Tables_number   1
_cell_volume   185.680
_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  0.755  0.283  0.181  1.0
  Li  Li1  1  0.964  0.741  0.443  1.0
  Li  Li2  1  0.036  0.259  0.557  1.0
  Li  Li3  1  0.245  0.717  0.819  1.0
  Cr  Cr4  1  0.407  0.706  0.247  1.0
  Cr  Cr5  1  0.593  0.294  0.753  1.0
  O  O6  1  0.239  0.811  0.054  1.0
  O  O7  1  0.551  0.504  0.211  1.0
  O  O8  1  0.703  0.976  0.368  1.0
  O  O9  1  0.155  0.539  0.360  1.0
  O  O10  1  0.845  0.461  0.640  1.0
  O  O11  1  0.297  0.024  0.632  1.0
  O  O12  1  0.449  0.496  0.789  1.0
  O  O13  1  0.761  0.189  0.946  1.0
[/CIF]
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