The material described by Li2MgCo3O8 crystallizes in the monoclinic C2/m space group. Li(1) 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 Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(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 8-11°. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(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 8-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with five equivalent O(1)Li2Co3 square pyramids and edges with four equivalent O(3)Li2MgCo2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mg(1), and two equivalent Co(2) atoms to form OLi2MgCo2 square pyramids that share corners with five equivalent O(3)Li2MgCo2 square pyramids and edges with four equivalent O(1)Li2Co3 square pyramids. is represented by the CIF file [CIF]
data_Li2MgCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.673
_cell_length_b   5.673
_cell_length_c   5.902
_cell_angle_alpha   61.902
_cell_angle_beta   61.902
_cell_angle_gamma   60.694
_symmetry_Int_Tables_number   1
_cell_volume   138.808
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.264  0.264  0.202  1.0
  O  O7  1  0.288  0.752  0.202  1.0
  O  O8  1  0.759  0.759  0.213  1.0
  O  O9  1  0.752  0.288  0.202  1.0
  O  O10  1  0.248  0.712  0.798  1.0
  O  O11  1  0.241  0.241  0.787  1.0
  O  O12  1  0.712  0.248  0.798  1.0
  O  O13  1  0.736  0.736  0.798  1.0
[/CIF]
.
The material described by Li2MgCo3O8 crystallizes in the monoclinic C2/m space group. Li(1) 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 Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(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 8-11°. Mg(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MgO6 octahedra that share edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(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 8-11°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Co(1), and two equivalent Co(2) atoms to form OLi2Co3 square pyramids that share corners with five equivalent O(1)Li2Co3 square pyramids and edges with four equivalent O(3)Li2MgCo2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Mg(1), and two equivalent Co(2) atoms to form OLi2MgCo2 square pyramids that share corners with five equivalent O(3)Li2MgCo2 square pyramids and edges with four equivalent O(1)Li2Co3 square pyramids. is represented by the CIF file [CIF]
data_Li2MgCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.673
_cell_length_b   5.673
_cell_length_c   5.902
_cell_angle_alpha   61.902
_cell_angle_beta   61.902
_cell_angle_gamma   60.694
_symmetry_Int_Tables_number   1
_cell_volume   138.808
_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  0.500  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Mg  Mg2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.264  0.264  0.202  1.0
  O  O7  1  0.288  0.752  0.202  1.0
  O  O8  1  0.759  0.759  0.213  1.0
  O  O9  1  0.752  0.288  0.202  1.0
  O  O10  1  0.248  0.712  0.798  1.0
  O  O11  1  0.241  0.241  0.787  1.0
  O  O12  1  0.712  0.248  0.798  1.0
  O  O13  1  0.736  0.736  0.798  1.0
[/CIF]
.