The material structure described by Li3CrO4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Cr(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(2)Li5Cr octahedra, edges with two equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with four equivalent O(4)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(4)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with four equivalent O(4)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(2)Li5Cr octahedra, corners with four equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(2)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(2)Li5Cr octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with two equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(2)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 4-17°. is represented by the CIF file [CIF]
data_Li3CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   5.800
_cell_length_c   9.064
_cell_angle_alpha   72.278
_cell_angle_beta   72.278
_cell_angle_gamma   90.140
_symmetry_Int_Tables_number   1
_cell_volume   275.158
_cell_formula_units_Z   4
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  0.941  0.695  0.867  1.0
  Li  Li1  1  0.695  0.941  0.367  1.0
  Li  Li2  1  0.819  0.562  0.619  1.0
  Li  Li3  1  0.439  0.670  0.876  1.0
  Li  Li4  1  0.330  0.561  0.624  1.0
  Li  Li5  1  0.438  0.181  0.881  1.0
  Li  Li6  1  0.562  0.819  0.119  1.0
  Li  Li7  1  0.670  0.439  0.376  1.0
  Li  Li8  1  0.561  0.330  0.124  1.0
  Li  Li9  1  0.181  0.438  0.381  1.0
  Li  Li10  1  0.305  0.059  0.633  1.0
  Li  Li11  1  0.059  0.305  0.133  1.0
  Cr  Cr12  1  0.939  0.216  0.876  1.0
  Cr  Cr13  1  0.216  0.939  0.376  1.0
  Cr  Cr14  1  0.784  0.061  0.624  1.0
  Cr  Cr15  1  0.061  0.784  0.124  1.0
  O  O16  1  0.720  0.960  0.855  1.0
  O  O17  1  0.960  0.720  0.355  1.0
  O  O18  1  0.579  0.829  0.633  1.0
  O  O19  1  0.705  0.415  0.882  1.0
  O  O20  1  0.168  0.944  0.895  1.0
  O  O21  1  0.829  0.579  0.133  1.0
  O  O22  1  0.415  0.705  0.382  1.0
  O  O23  1  0.944  0.168  0.395  1.0
  O  O24  1  0.056  0.832  0.605  1.0
  O  O25  1  0.585  0.295  0.618  1.0
  O  O26  1  0.171  0.421  0.867  1.0
  O  O27  1  0.832  0.056  0.105  1.0
  O  O28  1  0.295  0.585  0.118  1.0
  O  O29  1  0.421  0.171  0.367  1.0
  O  O30  1  0.040  0.280  0.645  1.0
  O  O31  1  0.280  0.040  0.145  1.0
[/CIF]
.
The material structure described by Li3CrO4 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-12°. In the second Li site, Li(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Cr(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(4)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(2)Li5Cr octahedra, edges with two equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with four equivalent O(4)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(3), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(4)Li4Cr2 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(1)Li4Cr2 octahedra, edges with two equivalent O(2)Li5Cr octahedra, edges with four equivalent O(4)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(3), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(2)Li5Cr octahedra, corners with four equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(2)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Cr(1) atoms to form OLi4Cr2 octahedra that share  a cornercorner with one O(1)Li4Cr2 octahedra,  a cornercorner with one O(2)Li5Cr octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with two equivalent O(4)Li4Cr2 octahedra, edges with two equivalent O(3)Li5Cr octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(2)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 4-17°. is represented by the CIF file [CIF]
data_Li3CrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.800
_cell_length_b   5.800
_cell_length_c   9.064
_cell_angle_alpha   72.278
_cell_angle_beta   72.278
_cell_angle_gamma   90.140
_symmetry_Int_Tables_number   1
_cell_volume   275.158
_cell_formula_units_Z   4
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  0.941  0.695  0.867  1.0
  Li  Li1  1  0.695  0.941  0.367  1.0
  Li  Li2  1  0.819  0.562  0.619  1.0
  Li  Li3  1  0.439  0.670  0.876  1.0
  Li  Li4  1  0.330  0.561  0.624  1.0
  Li  Li5  1  0.438  0.181  0.881  1.0
  Li  Li6  1  0.562  0.819  0.119  1.0
  Li  Li7  1  0.670  0.439  0.376  1.0
  Li  Li8  1  0.561  0.330  0.124  1.0
  Li  Li9  1  0.181  0.438  0.381  1.0
  Li  Li10  1  0.305  0.059  0.633  1.0
  Li  Li11  1  0.059  0.305  0.133  1.0
  Cr  Cr12  1  0.939  0.216  0.876  1.0
  Cr  Cr13  1  0.216  0.939  0.376  1.0
  Cr  Cr14  1  0.784  0.061  0.624  1.0
  Cr  Cr15  1  0.061  0.784  0.124  1.0
  O  O16  1  0.720  0.960  0.855  1.0
  O  O17  1  0.960  0.720  0.355  1.0
  O  O18  1  0.579  0.829  0.633  1.0
  O  O19  1  0.705  0.415  0.882  1.0
  O  O20  1  0.168  0.944  0.895  1.0
  O  O21  1  0.829  0.579  0.133  1.0
  O  O22  1  0.415  0.705  0.382  1.0
  O  O23  1  0.944  0.168  0.395  1.0
  O  O24  1  0.056  0.832  0.605  1.0
  O  O25  1  0.585  0.295  0.618  1.0
  O  O26  1  0.171  0.421  0.867  1.0
  O  O27  1  0.832  0.056  0.105  1.0
  O  O28  1  0.295  0.585  0.118  1.0
  O  O29  1  0.421  0.171  0.367  1.0
  O  O30  1  0.040  0.280  0.645  1.0
  O  O31  1  0.280  0.040  0.145  1.0
[/CIF]
.