The structure described by Li2Cr2CoO6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. Cr(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with five equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(1)Li3Cr2Co octahedra, corners with four equivalent O(3)Li2Cr3 square pyramids, edges with four equivalent O(1)Li3Cr2Co octahedra, and edges with four equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Li(1) and three equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with four equivalent O(1)Li3Cr2Co octahedra, edges with four equivalent O(1)Li3Cr2Co octahedra, and edges with four equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   2.939
_cell_length_c   5.894
_cell_angle_alpha   91.980
_cell_angle_beta   103.587
_cell_angle_gamma   102.099
_symmetry_Int_Tables_number   1
_cell_volume   111.640
_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  0.032  0.001  0.528  1.0
  Li  Li1  1  0.634  0.332  0.139  1.0
  Cr  Cr2  1  0.004  0.012  0.997  1.0
  Cr  Cr3  1  0.662  0.322  0.669  1.0
  Co  Co4  1  0.333  0.667  0.333  1.0
  O  O5  1  0.028  0.543  0.239  1.0
  O  O6  1  0.346  0.117  0.557  1.0
  O  O7  1  0.321  0.216  0.110  1.0
  O  O8  1  0.694  0.854  0.911  1.0
  O  O9  1  0.639  0.790  0.427  1.0
  O  O10  1  0.973  0.479  0.756  1.0
[/CIF]
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The structure described by Li2Cr2CoO6 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. Cr(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with five equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-17°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1), two equivalent Cr(1), and one Co(1) atom to form OLi3Cr2Co octahedra that share  a cornercorner with one O(1)Li3Cr2Co octahedra, corners with four equivalent O(3)Li2Cr3 square pyramids, edges with four equivalent O(1)Li3Cr2Co octahedra, and edges with four equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Co(1) atoms. In the third O site, O(3) is bonded to two equivalent Li(1) and three equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with four equivalent O(1)Li3Cr2Co octahedra, edges with four equivalent O(1)Li3Cr2Co octahedra, and edges with four equivalent O(3)Li2Cr3 square pyramids. The corner-sharing octahedral tilt angles range from 1-14°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.808
_cell_length_b   2.939
_cell_length_c   5.894
_cell_angle_alpha   91.980
_cell_angle_beta   103.587
_cell_angle_gamma   102.099
_symmetry_Int_Tables_number   1
_cell_volume   111.640
_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  0.032  0.001  0.528  1.0
  Li  Li1  1  0.634  0.332  0.139  1.0
  Cr  Cr2  1  0.004  0.012  0.997  1.0
  Cr  Cr3  1  0.662  0.322  0.669  1.0
  Co  Co4  1  0.333  0.667  0.333  1.0
  O  O5  1  0.028  0.543  0.239  1.0
  O  O6  1  0.346  0.117  0.557  1.0
  O  O7  1  0.321  0.216  0.110  1.0
  O  O8  1  0.694  0.854  0.911  1.0
  O  O9  1  0.639  0.790  0.427  1.0
  O  O10  1  0.973  0.479  0.756  1.0
[/CIF]
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