The compound described by Li3MnCo3O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)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 4-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(3), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(4)Li2MnCo2 square pyramid,  an edgeedge with one O(6)Li2MnCo2 square pyramid,  an edgeedge with one O(8)Li2MnCo2 square pyramid, edges with three equivalent O(3)Li2MnCo2 square pyramids, edges with three equivalent O(5)Li2MnCo2 square pyramids, and edges with three equivalent O(7)Li2MnCo2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(3)Li2MnCo2 square pyramid,  an edgeedge with one O(5)Li2MnCo2 square pyramid,  an edgeedge with one O(7)Li2MnCo2 square pyramid, edges with three equivalent O(4)Li2MnCo2 square pyramids, edges with three equivalent O(6)Li2MnCo2 square pyramids, and edges with three equivalent O(8)Li2MnCo2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(1), one Co(4), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(4)Li2MnCo2 square pyramids, corners with three equivalent O(3)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(5)Li2MnCo2 square pyramids, and edges with two equivalent O(7)Li2MnCo2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Mn(2), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(3)Li2MnCo2 square pyramids, corners with three equivalent O(4)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(6)Li2MnCo2 square pyramids, and edges with two equivalent O(8)Li2MnCo2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Mn(1), one Co(3), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(6)Li2MnCo2 square pyramids, corners with three equivalent O(5)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2MnCo2 square pyramids, and edges with two equivalent O(7)Li2MnCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(2), one Co(1), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(5)Li2MnCo2 square pyramids, corners with three equivalent O(6)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(4)Li2MnCo2 square pyramids, and edges with two equivalent O(8)Li2MnCo2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Co(3), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid, corners with two equivalent O(8)Li2MnCo2 square pyramids, corners with three equivalent O(7)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2MnCo2 square pyramids, and edges with two equivalent O(5)Li2MnCo2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(2), one Co(2), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid, corners with two equivalent O(7)Li2MnCo2 square pyramids, corners with three equivalent O(8)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(4)Li2MnCo2 square pyramids, and edges with two equivalent O(6)Li2MnCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.837
_cell_length_c   5.926
_cell_angle_alpha   61.021
_cell_angle_beta   88.155
_cell_angle_gamma   118.238
_symmetry_Int_Tables_number   1
_cell_volume   146.268
_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  1.000  0.500  0.000  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  1.000  1.000  0.500  1.0
  Li  Li4  1  1.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.733  0.488  0.778  1.0
  O  O8  1  0.267  0.512  0.222  1.0
  O  O9  1  0.234  0.986  0.779  1.0
  O  O10  1  0.220  0.457  0.786  1.0
  O  O11  1  0.757  0.994  0.785  1.0
  O  O12  1  0.243  0.006  0.215  1.0
  O  O13  1  0.780  0.544  0.214  1.0
  O  O14  1  0.766  0.014  0.221  1.0
[/CIF]
.
The compound described by Li3MnCo3O8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(3)O6 octahedra, corners with three equivalent Co(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the second Co site, Co(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fifth Co site, Co(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the sixth Co site, Co(6) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)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 4-11°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(3), one Co(4), and one Co(5) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(4)Li2MnCo2 square pyramid,  an edgeedge with one O(6)Li2MnCo2 square pyramid,  an edgeedge with one O(8)Li2MnCo2 square pyramid, edges with three equivalent O(3)Li2MnCo2 square pyramids, edges with three equivalent O(5)Li2MnCo2 square pyramids, and edges with three equivalent O(7)Li2MnCo2 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(6) atom to form OLi3Co3 octahedra that share corners with three equivalent O(1)Li3Co3 octahedra, corners with three equivalent O(2)Li3Co3 octahedra,  an edgeedge with one O(3)Li2MnCo2 square pyramid,  an edgeedge with one O(5)Li2MnCo2 square pyramid,  an edgeedge with one O(7)Li2MnCo2 square pyramid, edges with three equivalent O(4)Li2MnCo2 square pyramids, edges with three equivalent O(6)Li2MnCo2 square pyramids, and edges with three equivalent O(8)Li2MnCo2 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Mn(1), one Co(4), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(4)Li2MnCo2 square pyramids, corners with three equivalent O(3)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(5)Li2MnCo2 square pyramids, and edges with two equivalent O(7)Li2MnCo2 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Mn(2), one Co(1), and one Co(2) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(3)Li2MnCo2 square pyramids, corners with three equivalent O(4)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(6)Li2MnCo2 square pyramids, and edges with two equivalent O(8)Li2MnCo2 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), one Mn(1), one Co(3), and one Co(4) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(6)Li2MnCo2 square pyramids, corners with three equivalent O(5)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2MnCo2 square pyramids, and edges with two equivalent O(7)Li2MnCo2 square pyramids. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(2), one Co(1), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(7)Li2MnCo2 square pyramid,  a cornercorner with one O(8)Li2MnCo2 square pyramid, corners with two equivalent O(5)Li2MnCo2 square pyramids, corners with three equivalent O(6)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(4)Li2MnCo2 square pyramids, and edges with two equivalent O(8)Li2MnCo2 square pyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Co(3), and one Co(5) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid, corners with two equivalent O(8)Li2MnCo2 square pyramids, corners with three equivalent O(7)Li2MnCo2 square pyramids,  an edgeedge with one O(2)Li3Co3 octahedra, edges with three equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2MnCo2 square pyramids, and edges with two equivalent O(5)Li2MnCo2 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Mn(2), one Co(2), and one Co(6) atom to form OLi2MnCo2 square pyramids that share  a cornercorner with one O(3)Li2MnCo2 square pyramid,  a cornercorner with one O(4)Li2MnCo2 square pyramid,  a cornercorner with one O(5)Li2MnCo2 square pyramid,  a cornercorner with one O(6)Li2MnCo2 square pyramid, corners with two equivalent O(7)Li2MnCo2 square pyramids, corners with three equivalent O(8)Li2MnCo2 square pyramids,  an edgeedge with one O(1)Li3Co3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, edges with two equivalent O(4)Li2MnCo2 square pyramids, and edges with two equivalent O(6)Li2MnCo2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.832
_cell_length_b   5.837
_cell_length_c   5.926
_cell_angle_alpha   61.021
_cell_angle_beta   88.155
_cell_angle_gamma   118.238
_symmetry_Int_Tables_number   1
_cell_volume   146.268
_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  1.000  0.500  0.000  1.0
  Co  Co1  1  0.500  1.000  0.000  1.0
  Co  Co2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  1.000  1.000  0.500  1.0
  Li  Li4  1  1.000  0.500  0.500  1.0
  Li  Li5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.733  0.488  0.778  1.0
  O  O8  1  0.267  0.512  0.222  1.0
  O  O9  1  0.234  0.986  0.779  1.0
  O  O10  1  0.220  0.457  0.786  1.0
  O  O11  1  0.757  0.994  0.785  1.0
  O  O12  1  0.243  0.006  0.215  1.0
  O  O13  1  0.780  0.544  0.214  1.0
  O  O14  1  0.766  0.014  0.221  1.0
[/CIF]
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