The material described by Li2Cr3(CoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)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 are 10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. 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 edges with two equivalent Li(1)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. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Co(2) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Cr(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Cr(1), one Cr(2), and one Co(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Co square pyramids. is represented by the CIF file [CIF]
data_Li2Cr3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.941
_cell_length_c   6.656
_cell_angle_alpha   105.228
_cell_angle_beta   102.786
_cell_angle_gamma   88.834
_symmetry_Int_Tables_number   1
_cell_volume   215.123
_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  0.687  0.680  0.678  1.0
  Li  Li1  1  0.313  0.320  0.322  1.0
  Cr  Cr2  1  0.832  0.840  0.326  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.168  0.160  0.674  1.0
  Co  Co5  1  0.334  0.835  0.332  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.666  0.165  0.668  1.0
  O  O8  1  0.252  0.720  0.027  1.0
  O  O9  1  0.752  0.716  0.007  1.0
  O  O10  1  0.427  0.934  0.637  1.0
  O  O11  1  0.088  0.608  0.301  1.0
  O  O12  1  0.898  0.942  0.643  1.0
  O  O13  1  0.572  0.612  0.315  1.0
  O  O14  1  0.428  0.388  0.685  1.0
  O  O15  1  0.102  0.058  0.357  1.0
  O  O16  1  0.912  0.392  0.699  1.0
  O  O17  1  0.573  0.066  0.363  1.0
  O  O18  1  0.248  0.284  0.993  1.0
  O  O19  1  0.748  0.280  0.973  1.0
[/CIF]
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The material described by Li2Cr3(CoO4)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Cr(2)O6 octahedra, corners with five equivalent Cr(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with five equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Cr(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)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 are 10°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form CoO6 octahedra that share  an edgeedge with one Cr(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cr(1)O6 octahedra. 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 edges with two equivalent Li(1)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. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(2), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Co(2) atom. In the third O site, O(3) is bonded in a see-saw-like geometry to one Li(1), one Cr(1), and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Li(1), one Cr(1), one Co(1), and one Co(2) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the sixth O site, O(6) is bonded to two equivalent Li(1), one Cr(1), one Cr(2), and one Co(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Co square pyramids. is represented by the CIF file [CIF]
data_Li2Cr3(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.786
_cell_length_b   5.941
_cell_length_c   6.656
_cell_angle_alpha   105.228
_cell_angle_beta   102.786
_cell_angle_gamma   88.834
_symmetry_Int_Tables_number   1
_cell_volume   215.123
_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  0.687  0.680  0.678  1.0
  Li  Li1  1  0.313  0.320  0.322  1.0
  Cr  Cr2  1  0.832  0.840  0.326  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.168  0.160  0.674  1.0
  Co  Co5  1  0.334  0.835  0.332  1.0
  Co  Co6  1  0.000  0.500  0.000  1.0
  Co  Co7  1  0.666  0.165  0.668  1.0
  O  O8  1  0.252  0.720  0.027  1.0
  O  O9  1  0.752  0.716  0.007  1.0
  O  O10  1  0.427  0.934  0.637  1.0
  O  O11  1  0.088  0.608  0.301  1.0
  O  O12  1  0.898  0.942  0.643  1.0
  O  O13  1  0.572  0.612  0.315  1.0
  O  O14  1  0.428  0.388  0.685  1.0
  O  O15  1  0.102  0.058  0.357  1.0
  O  O16  1  0.912  0.392  0.699  1.0
  O  O17  1  0.573  0.066  0.363  1.0
  O  O18  1  0.248  0.284  0.993  1.0
  O  O19  1  0.748  0.280  0.973  1.0
[/CIF]
.