The compound described by Li2Cr2CoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(12), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(10), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(9) atoms. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(12) atoms to form CrO6 octahedra that share 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. In the second Cr site, Cr(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form CrO6 octahedra that share 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. In the third Cr site, Cr(3) is bonded to one O(8), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form CrO6 octahedra that share edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form CrO6 octahedra that share edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(3)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids,  an edgeedge with one O(11)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2Cr3 square pyramid, and edges with two equivalent O(1)Li2Cr2Co square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent Cr(3), and one Co(1) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(4)Li2Cr2Co square pyramid, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(11)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2Cr3 square pyramid, and edges with two equivalent O(2)Li2Cr2Co square pyramids. In the third O site, O(3) is bonded to two equivalent Li(3), two equivalent Cr(4), and one Co(2) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(1)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(10)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(3)Li2Cr2Co square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(4), two equivalent Cr(2), and one Co(1) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(10)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(4)Li2Cr2Co square pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(1), one Cr(4), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(2), one Cr(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(3), one Cr(1), and two equivalent Co(2) atoms. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Cr(3), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded to two equivalent Li(4), one Cr(3), and two equivalent Cr(4) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr2Co square pyramid, edges with two equivalent O(11)Li2Cr3 square pyramids, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Cr(1), and two equivalent Cr(2) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr2Co square pyramid, edges with two equivalent O(10)Li2Cr3 square pyramids, and edges with two equivalent O(12)Li2Cr3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Li(1), one Cr(4), and two equivalent Cr(3) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid, edges with two equivalent O(11)Li2Cr3 square pyramids, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid, edges with two equivalent O(10)Li2Cr3 square pyramids, and edges with two equivalent O(12)Li2Cr3 square pyramids. is represented by the CIF file [CIF]
data_Li2Cr2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.915
_cell_length_b   5.872
_cell_length_c   6.824
_cell_angle_alpha   75.272
_cell_angle_beta   77.701
_cell_angle_gamma   89.830
_symmetry_Int_Tables_number   1
_cell_volume   110.226
_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  0.667  0.333  0.667  1.0
  Cr  Cr1  1  0.002  0.999  0.993  1.0
  Cr  Cr2  1  0.330  0.667  0.341  1.0
  Li  Li3  1  0.020  0.531  0.960  1.0
  Li  Li4  1  0.313  0.136  0.373  1.0
  O  O5  1  0.516  0.247  0.962  1.0
  O  O6  1  0.816  0.420  0.371  1.0
  O  O7  1  0.177  0.547  0.654  1.0
  O  O8  1  0.158  0.119  0.679  1.0
  O  O9  1  0.847  0.912  0.306  1.0
  O  O10  1  0.486  0.755  0.027  1.0
[/CIF]
.
The compound described by Li2Cr2CoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(5), two equivalent O(1), and two equivalent O(11) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(6), two equivalent O(12), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(10), and two equivalent O(3) atoms. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(8), two equivalent O(4), and two equivalent O(9) atoms. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(12) atoms to form CrO6 octahedra that share 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. In the second Cr site, Cr(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form CrO6 octahedra that share 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. In the third Cr site, Cr(3) is bonded to one O(8), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form CrO6 octahedra that share edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form CrO6 octahedra that share edges with two equivalent Cr(3)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(4)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Co(2) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(3)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids,  an edgeedge with one O(11)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2Cr3 square pyramid, and edges with two equivalent O(1)Li2Cr2Co square pyramids. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent Cr(3), and one Co(1) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(4)Li2Cr2Co square pyramid, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(11)Li2Cr3 square pyramid,  an edgeedge with one O(12)Li2Cr3 square pyramid, and edges with two equivalent O(2)Li2Cr2Co square pyramids. In the third O site, O(3) is bonded to two equivalent Li(3), two equivalent Cr(4), and one Co(2) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(1)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(11)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(10)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(3)Li2Cr2Co square pyramids. In the fourth O site, O(4) is bonded to two equivalent Li(4), two equivalent Cr(2), and one Co(1) atom to form distorted OLi2Cr2Co square pyramids that share  a cornercorner with one O(2)Li2Cr2Co square pyramid, corners with two equivalent O(10)Li2Cr3 square pyramids, corners with two equivalent O(12)Li2Cr3 square pyramids, corners with two equivalent O(9)Li2Cr3 square pyramids,  an edgeedge with one O(10)Li2Cr3 square pyramid,  an edgeedge with one O(9)Li2Cr3 square pyramid, and edges with two equivalent O(4)Li2Cr2Co square pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(1), one Cr(4), and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a see-saw-like geometry to one Li(2), one Cr(2), and two equivalent Co(1) atoms. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(3), one Cr(1), and two equivalent Co(2) atoms. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Cr(3), and two equivalent Co(1) atoms. In the ninth O site, O(9) is bonded to two equivalent Li(4), one Cr(3), and two equivalent Cr(4) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr2Co square pyramid, edges with two equivalent O(11)Li2Cr3 square pyramids, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Cr(1), and two equivalent Cr(2) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(3)Li2Cr2Co square pyramid,  an edgeedge with one O(4)Li2Cr2Co square pyramid, edges with two equivalent O(10)Li2Cr3 square pyramids, and edges with two equivalent O(12)Li2Cr3 square pyramids. In the eleventh O site, O(11) is bonded to two equivalent Li(1), one Cr(4), and two equivalent Cr(3) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(3)Li2Cr2Co square pyramids,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid, edges with two equivalent O(11)Li2Cr3 square pyramids, and edges with two equivalent O(9)Li2Cr3 square pyramids. In the twelfth O site, O(12) is bonded to two equivalent Li(2), one Cr(2), and two equivalent Cr(1) atoms to form OLi2Cr3 square pyramids that share corners with two equivalent O(1)Li2Cr2Co square pyramids, corners with two equivalent O(2)Li2Cr2Co square pyramids, corners with two equivalent O(4)Li2Cr2Co square pyramids,  an edgeedge with one O(1)Li2Cr2Co square pyramid,  an edgeedge with one O(2)Li2Cr2Co square pyramid, edges with two equivalent O(10)Li2Cr3 square pyramids, and edges with two equivalent O(12)Li2Cr3 square pyramids. is represented by the CIF file [CIF]
data_Li2Cr2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.915
_cell_length_b   5.872
_cell_length_c   6.824
_cell_angle_alpha   75.272
_cell_angle_beta   77.701
_cell_angle_gamma   89.830
_symmetry_Int_Tables_number   1
_cell_volume   110.226
_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  0.667  0.333  0.667  1.0
  Cr  Cr1  1  0.002  0.999  0.993  1.0
  Cr  Cr2  1  0.330  0.667  0.341  1.0
  Li  Li3  1  0.020  0.531  0.960  1.0
  Li  Li4  1  0.313  0.136  0.373  1.0
  O  O5  1  0.516  0.247  0.962  1.0
  O  O6  1  0.816  0.420  0.371  1.0
  O  O7  1  0.177  0.547  0.654  1.0
  O  O8  1  0.158  0.119  0.679  1.0
  O  O9  1  0.847  0.912  0.306  1.0
  O  O10  1  0.486  0.755  0.027  1.0
[/CIF]
.