The material structure described by Li2CrO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)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 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent 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 8-9°. In the third Li site, Li(3) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Cr(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 3-11°. Cr(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(3)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 3-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), three equivalent Li(3), 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(3)Li5Cr octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and three equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(1)Li4Cr2 octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   5.944
_cell_length_c   6.464
_cell_angle_alpha   75.939
_cell_angle_beta   77.090
_cell_angle_gamma   89.297
_symmetry_Int_Tables_number   1
_cell_volume   105.989
_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
  Cr  Cr0  1  0.997  0.011  0.983  1.0
  Cr  Cr1  1  0.336  0.656  0.350  1.0
  Li  Li2  1  0.667  0.333  0.667  1.0
  Li  Li3  1  0.667  0.833  0.667  1.0
  Li  Li4  1  0.005  0.499  0.986  1.0
  Li  Li5  1  0.329  0.168  0.348  1.0
  O  O6  1  0.507  0.221  0.006  1.0
  O  O7  1  0.826  0.445  0.327  1.0
  O  O8  1  0.851  0.895  0.321  1.0
  O  O9  1  0.482  0.772  0.013  1.0
  O  O10  1  0.174  0.591  0.643  1.0
  O  O11  1  0.159  0.076  0.690  1.0
[/CIF]
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The material structure described by Li2CrO3 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)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 8-10°. In the second Li site, Li(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent 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 8-9°. In the third Li site, Li(3) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra, corners with five equivalent Cr(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 3-11°. Cr(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with five equivalent Li(3)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 3-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), three equivalent Li(3), 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(3)Li5Cr octahedra, corners with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), and three equivalent Cr(1) atoms to form OLi3Cr3 octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(3)Li5Cr octahedra, corners with four equivalent O(1)Li4Cr2 octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(3) is bonded to one Li(3), two equivalent Li(1), two equivalent Li(2), and one Cr(1) atom to form OLi5Cr octahedra that share  a cornercorner with one O(2)Li3Cr3 octahedra,  a cornercorner with one O(1)Li4Cr2 octahedra, corners with four equivalent O(3)Li5Cr octahedra, edges with four equivalent O(2)Li3Cr3 octahedra, edges with four equivalent O(1)Li4Cr2 octahedra, and edges with four equivalent O(3)Li5Cr octahedra. The corner-sharing octahedral tilt angles range from 0-7°. is represented by the CIF card [CIF]
data_Li2CrO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.921
_cell_length_b   5.944
_cell_length_c   6.464
_cell_angle_alpha   75.939
_cell_angle_beta   77.090
_cell_angle_gamma   89.297
_symmetry_Int_Tables_number   1
_cell_volume   105.989
_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
  Cr  Cr0  1  0.997  0.011  0.983  1.0
  Cr  Cr1  1  0.336  0.656  0.350  1.0
  Li  Li2  1  0.667  0.333  0.667  1.0
  Li  Li3  1  0.667  0.833  0.667  1.0
  Li  Li4  1  0.005  0.499  0.986  1.0
  Li  Li5  1  0.329  0.168  0.348  1.0
  O  O6  1  0.507  0.221  0.006  1.0
  O  O7  1  0.826  0.445  0.327  1.0
  O  O8  1  0.851  0.895  0.321  1.0
  O  O9  1  0.482  0.772  0.013  1.0
  O  O10  1  0.174  0.591  0.643  1.0
  O  O11  1  0.159  0.076  0.690  1.0
[/CIF]
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