The structure described by Li4MnCo3O8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with six equivalent O(1)Li3MnCo2 octahedra, edges with four equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(1)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(3)Li3MnCo2 octahedra, and edges with eight equivalent O(1)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) 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 three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with eight equivalent O(1)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li4MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.048
_cell_angle_alpha   73.903
_cell_angle_beta   73.903
_cell_angle_gamma   60.117
_symmetry_Int_Tables_number   1
_cell_volume   145.128
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.251  0.251  0.996  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.749  0.749  0.004  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.753  0.247  0.000  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.247  0.753  0.000  1.0
  O  O8  1  0.623  0.149  0.736  1.0
  O  O9  1  0.886  0.886  0.249  1.0
  O  O10  1  0.149  0.623  0.736  1.0
  O  O11  1  0.385  0.385  0.259  1.0
  O  O12  1  0.377  0.851  0.264  1.0
  O  O13  1  0.615  0.615  0.741  1.0
  O  O14  1  0.851  0.377  0.264  1.0
  O  O15  1  0.114  0.114  0.751  1.0
[/CIF]
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The structure described by Li4MnCo3O8 is alpha Po-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, 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(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Mn(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. There are two inequivalent Co sites. In the first Co site, Co(1) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share corners with six equivalent O(1)Li3MnCo2 octahedra, edges with four equivalent O(2)Li3Co3 octahedra, edges with four equivalent O(1)Li3MnCo2 octahedra, and edges with four equivalent O(3)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Co(2), and two equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(3)Li3MnCo2 octahedra, and edges with eight equivalent O(1)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) 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 three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(3)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li3MnCo2 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with eight equivalent O(1)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the CIF card [CIF]
data_Li4MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.917
_cell_length_b   5.917
_cell_length_c   5.048
_cell_angle_alpha   73.903
_cell_angle_beta   73.903
_cell_angle_gamma   60.117
_symmetry_Int_Tables_number   1
_cell_volume   145.128
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.251  0.251  0.996  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.749  0.749  0.004  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.753  0.247  0.000  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.247  0.753  0.000  1.0
  O  O8  1  0.623  0.149  0.736  1.0
  O  O9  1  0.886  0.886  0.249  1.0
  O  O10  1  0.149  0.623  0.736  1.0
  O  O11  1  0.385  0.385  0.259  1.0
  O  O12  1  0.377  0.851  0.264  1.0
  O  O13  1  0.615  0.615  0.741  1.0
  O  O14  1  0.851  0.377  0.264  1.0
  O  O15  1  0.114  0.114  0.751  1.0
[/CIF]
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