The structure described by LiCrCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(2), and one Co(4) atom. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Cr(2), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(2), and one Co(6) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(1), one Cr(2), one Co(1), and one Co(5) atom. is represented by the CIF card [CIF]
data_LiCrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.732
_cell_length_c   5.958
_cell_angle_alpha   61.399
_cell_angle_beta   89.903
_cell_angle_gamma   119.718
_symmetry_Int_Tables_number   1
_cell_volume   141.112
_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  0.500  0.000  1.000  1.0
  Co  Co1  1  0.500  0.500  1.000  1.0
  Co  Co2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  0.000  1.000  0.000  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.731  0.462  0.805  1.0
  O  O6  1  0.269  0.538  0.195  1.0
  O  O7  1  0.241  0.483  0.802  1.0
  O  O8  1  0.285  0.043  0.199  1.0
  O  O9  1  0.756  0.042  0.200  1.0
  O  O10  1  0.244  0.958  0.800  1.0
  O  O11  1  0.715  0.957  0.801  1.0
  O  O12  1  0.759  0.517  0.198  1.0
[/CIF]
.
The structure described by LiCrCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-15°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-14°. In the second Cr site, Cr(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(8) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(2), one Co(3), and one Co(5) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(4), and one Co(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(2), and one Co(4) atom. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(1), one Cr(2), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Co(2), and one Co(6) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(1), one Cr(2), one Co(1), and one Co(5) atom. is represented by the CIF card [CIF]
data_LiCrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.707
_cell_length_b   5.732
_cell_length_c   5.958
_cell_angle_alpha   61.399
_cell_angle_beta   89.903
_cell_angle_gamma   119.718
_symmetry_Int_Tables_number   1
_cell_volume   141.112
_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  0.500  0.000  1.000  1.0
  Co  Co1  1  0.500  0.500  1.000  1.0
  Co  Co2  1  1.000  0.500  1.000  1.0
  Cr  Cr3  1  0.000  1.000  0.000  1.0
  Li  Li4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.731  0.462  0.805  1.0
  O  O6  1  0.269  0.538  0.195  1.0
  O  O7  1  0.241  0.483  0.802  1.0
  O  O8  1  0.285  0.043  0.199  1.0
  O  O9  1  0.756  0.042  0.200  1.0
  O  O10  1  0.244  0.958  0.800  1.0
  O  O11  1  0.715  0.957  0.801  1.0
  O  O12  1  0.759  0.517  0.198  1.0
[/CIF]
.