The material structure described by Li3Cr(CoO3)2 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)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 two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one 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 two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form CoO6 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cr(1), and two equivalent Co(1) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(4)Li3Cr2Co octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Cr(1), and two equivalent Co(2) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(3)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with four equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with four equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with four equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li3Cr2Co octahedra, corners with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Cr2Co octahedra, corners with four equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li3Cr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.933
_cell_length_b   5.914
_cell_length_c   6.660
_cell_angle_alpha   76.667
_cell_angle_beta   77.419
_cell_angle_gamma   88.094
_symmetry_Int_Tables_number   1
_cell_volume   109.694
_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
  Co  Co0  1  0.008  0.998  0.998  1.0
  Co  Co1  1  0.329  0.671  0.337  1.0
  Cr  Cr2  1  0.669  0.335  0.667  1.0
  Li  Li3  1  0.667  0.834  0.668  1.0
  Li  Li4  1  0.001  0.502  0.003  1.0
  Li  Li5  1  0.336  0.167  0.332  1.0
  O  O6  1  0.531  0.237  0.989  1.0
  O  O7  1  0.806  0.433  0.345  1.0
  O  O8  1  0.158  0.572  0.661  1.0
  O  O9  1  0.180  0.098  0.674  1.0
  O  O10  1  0.853  0.904  0.325  1.0
  O  O11  1  0.484  0.766  0.009  1.0
[/CIF]
.
The material structure described by Li3Cr(CoO3)2 is alpha Po-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Li site, Li(2) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. Cr(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)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 two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one 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 two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the second Co site, Co(2) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form CoO6 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(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), two equivalent Li(2), one Cr(1), and two equivalent Co(1) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(4)Li3Cr2Co octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with four equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(3), one Cr(1), and two equivalent Co(2) atoms to form OLi3CrCo2 octahedra that share  a cornercorner with one O(3)Li3Cr2Co octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with four equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(2)Li3CrCo2 octahedra, corners with four equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(1)Li3CrCo2 octahedra, corners with four equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Co(1), and two equivalent Co(2) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(6)Li3Co3 octahedra,  a cornercorner with one O(4)Li3Cr2Co octahedra, corners with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share  a cornercorner with one O(5)Li3Co3 octahedra,  a cornercorner with one O(3)Li3Cr2Co octahedra, corners with four equivalent O(1)Li3CrCo2 octahedra, edges with two equivalent O(5)Li3Co3 octahedra, edges with two equivalent O(6)Li3Co3 octahedra, edges with two equivalent O(3)Li3Cr2Co octahedra, edges with two equivalent O(4)Li3Cr2Co octahedra, edges with two equivalent O(1)Li3CrCo2 octahedra, and edges with two equivalent O(2)Li3CrCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF file [CIF]
data_Li3Cr(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.933
_cell_length_b   5.914
_cell_length_c   6.660
_cell_angle_alpha   76.667
_cell_angle_beta   77.419
_cell_angle_gamma   88.094
_symmetry_Int_Tables_number   1
_cell_volume   109.694
_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
  Co  Co0  1  0.008  0.998  0.998  1.0
  Co  Co1  1  0.329  0.671  0.337  1.0
  Cr  Cr2  1  0.669  0.335  0.667  1.0
  Li  Li3  1  0.667  0.834  0.668  1.0
  Li  Li4  1  0.001  0.502  0.003  1.0
  Li  Li5  1  0.336  0.167  0.332  1.0
  O  O6  1  0.531  0.237  0.989  1.0
  O  O7  1  0.806  0.433  0.345  1.0
  O  O8  1  0.158  0.572  0.661  1.0
  O  O9  1  0.180  0.098  0.674  1.0
  O  O10  1  0.853  0.904  0.325  1.0
  O  O11  1  0.484  0.766  0.009  1.0
[/CIF]
.