The crystal structure described by Li3Cr2(CoO4)2 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), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)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 Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)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 5-9°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six 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 Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share 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(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)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 5-9°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Co(2) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2CrCo2 square pyramids, corners with five equivalent O(1)Li2Cr2Co square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(3)Li2Cr2Co square pyramids, and edges with two equivalent O(4)Li2CrCo2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cr(2), one Co(1), and one Co(2) atom to form OLi3CrCo2 octahedra that share corners with six equivalent O(2)Li3CrCo2 octahedra, edges with four equivalent O(1)Li2Cr2Co square pyramids, edges with four equivalent O(3)Li2Cr2Co square pyramids, and edges with four equivalent O(4)Li2CrCo2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Co(1) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2CrCo2 square pyramids, corners with five equivalent O(3)Li2Cr2Co square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(1)Li2Cr2Co square pyramids, and edges with two equivalent O(4)Li2CrCo2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Cr(1), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with five equivalent O(4)Li2CrCo2 square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(1)Li2Cr2Co square pyramids, and edges with two equivalent O(3)Li2Cr2Co square pyramids. is represented by the CIF file [CIF]
data_Li3Cr2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.925
_cell_length_c   5.946
_cell_angle_alpha   59.418
_cell_angle_beta   60.040
_cell_angle_gamma   88.862
_symmetry_Int_Tables_number   1
_cell_volume   146.911
_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
  Li  Li0  1  0.000  0.500  1.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Cr  Cr3  1  0.000  1.000  1.000  1.0
  Cr  Cr4  1  1.000  0.000  0.500  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.236  0.214  0.017  1.0
  O  O8  1  0.243  0.755  0.487  1.0
  O  O9  1  0.214  0.233  0.536  1.0
  O  O10  1  0.770  0.231  0.988  1.0
  O  O11  1  0.230  0.769  0.013  1.0
  O  O12  1  0.786  0.767  0.464  1.0
  O  O13  1  0.757  0.245  0.513  1.0
  O  O14  1  0.764  0.786  0.983  1.0
[/CIF]
.
The crystal structure described by Li3Cr2(CoO4)2 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), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)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 Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra, edges with two equivalent Li(1)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 5-9°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six 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 Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share 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(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)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 5-9°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six 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 Cr(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-9°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Cr(1), one Cr(2), and one Co(2) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2CrCo2 square pyramids, corners with five equivalent O(1)Li2Cr2Co square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(3)Li2Cr2Co square pyramids, and edges with two equivalent O(4)Li2CrCo2 square pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Cr(2), one Co(1), and one Co(2) atom to form OLi3CrCo2 octahedra that share corners with six equivalent O(2)Li3CrCo2 octahedra, edges with four equivalent O(1)Li2Cr2Co square pyramids, edges with four equivalent O(3)Li2Cr2Co square pyramids, and edges with four equivalent O(4)Li2CrCo2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Cr(1), one Cr(2), and one Co(1) atom to form OLi2Cr2Co square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2CrCo2 square pyramids, corners with five equivalent O(3)Li2Cr2Co square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(1)Li2Cr2Co square pyramids, and edges with two equivalent O(4)Li2CrCo2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Cr(1), one Co(1), and one Co(2) atom to form OLi2CrCo2 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with five equivalent O(4)Li2CrCo2 square pyramids, edges with four equivalent O(2)Li3CrCo2 octahedra, edges with two equivalent O(1)Li2Cr2Co square pyramids, and edges with two equivalent O(3)Li2Cr2Co square pyramids. is represented by the CIF file [CIF]
data_Li3Cr2(CoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.889
_cell_length_b   5.925
_cell_length_c   5.946
_cell_angle_alpha   59.418
_cell_angle_beta   60.040
_cell_angle_gamma   88.862
_symmetry_Int_Tables_number   1
_cell_volume   146.911
_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
  Li  Li0  1  0.000  0.500  1.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Cr  Cr3  1  0.000  1.000  1.000  1.0
  Cr  Cr4  1  1.000  0.000  0.500  1.0
  Co  Co5  1  1.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.236  0.214  0.017  1.0
  O  O8  1  0.243  0.755  0.487  1.0
  O  O9  1  0.214  0.233  0.536  1.0
  O  O10  1  0.770  0.231  0.988  1.0
  O  O11  1  0.230  0.769  0.013  1.0
  O  O12  1  0.786  0.767  0.464  1.0
  O  O13  1  0.757  0.245  0.513  1.0
  O  O14  1  0.764  0.786  0.983  1.0
[/CIF]
.