The compound described by Li2MnCoO4 is beta Polonium-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(1,1) and four O(2,2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Mn(1) is bonded to two O(2,2) and four O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Co(1) is bonded to two O(1,1) and four O(2,2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with six O(2,2)Li3MnCo2 octahedra; edges with four equivalent O(2)Li3MnCo2 octahedra; and edges with eight O(1,1,1,1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with six O(2,2)Li3MnCo2 octahedra; edges with four equivalent O(2)Li3MnCo2 octahedra; and edges with eight O(1,1,1,1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li2MnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   132.138
_cell_angle_beta   132.138
_cell_angle_gamma   70.012
_symmetry_Int_Tables_number   1
_cell_volume   74.224
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.520  0.020  0.500  1.0
  O  O5  1  0.228  0.228  0.000  1.0
  O  O6  1  0.980  0.480  0.500  1.0
  O  O7  1  0.772  0.772  0.000  1.0
[/CIF]
.
The compound described by Li2MnCoO4 is beta Polonium-derived structured and crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(1,1) and four O(2,2) atoms to form LiO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the second Li site, Li(2) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Mn(1) is bonded to two O(2,2) and four O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Co(1) is bonded to two O(1,1) and four O(2,2) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with six O(2,2)Li3MnCo2 octahedra; edges with four equivalent O(2)Li3MnCo2 octahedra; and edges with eight O(1,1,1,1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the third O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with six O(2,2)Li3MnCo2 octahedra; edges with four equivalent O(2)Li3MnCo2 octahedra; and edges with eight O(1,1,1,1)Li3Mn2Co octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fifth O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(1) is bonded to one Li(1), two equivalent Li(2), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with six O(1,1)Li3Mn2Co octahedra; edges with four equivalent O(1)Li3Mn2Co octahedra; and edges with eight O(2,2)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. is represented by the CIF file [CIF]
data_Li2MnCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.164
_cell_length_b   5.164
_cell_length_c   5.164
_cell_angle_alpha   132.138
_cell_angle_beta   132.138
_cell_angle_gamma   70.012
_symmetry_Int_Tables_number   1
_cell_volume   74.224
_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  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.750  0.250  0.500  1.0
  O  O4  1  0.520  0.020  0.500  1.0
  O  O5  1  0.228  0.228  0.000  1.0
  O  O6  1  0.980  0.480  0.500  1.0
  O  O7  1  0.772  0.772  0.000  1.0
[/CIF]
.