The compound described by LiMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)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 12-17°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Co site, Co(3) is bonded to one O(1), one O(16), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(12), one O(13), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(2), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(2), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(1), and one Co(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(1), and one Co(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.726
_cell_length_c   5.983
_cell_angle_alpha   117.484
_cell_angle_beta   91.044
_cell_angle_gamma   119.761
_symmetry_Int_Tables_number   1
_cell_volume   142.957
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.500  1.000  1.000  1.0
  Li  Li3  1  0.999  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.236  0.956  0.191  1.0
  O  O6  1  0.765  0.044  0.808  1.0
  O  O7  1  0.738  0.454  0.193  1.0
  O  O8  1  0.262  0.545  0.807  1.0
  O  O9  1  0.222  0.460  0.198  1.0
  O  O10  1  0.735  0.973  0.197  1.0
  O  O11  1  0.264  0.027  0.803  1.0
  O  O12  1  0.779  0.540  0.802  1.0
[/CIF]
.
The compound described by LiMnCo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(14), one O(16), one O(6), one O(7), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)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 12-17°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(14), one O(16), and one O(3) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-18°. In the second Co site, Co(2) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra,  an edgeedge with one Co(5)O6 octahedra,  an edgeedge with one Co(6)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. In the third Co site, Co(3) is bonded to one O(1), one O(16), one O(4), one O(6), one O(7), and one O(9) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(10), one O(15), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. In the fifth Co site, Co(5) is bonded to one O(1), one O(11), one O(14), one O(4), one O(6), and one O(7) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. In the sixth Co site, Co(6) is bonded to one O(12), one O(13), one O(2), one O(3), one O(5), and one O(8) atom to form CoO6 octahedra that share  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, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Co(3), and one Co(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mn(2), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mn(1), one Co(3), and one Co(5) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Li(2), one Co(1), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a see-saw-like geometry to one Li(1), one Co(1), one Co(3), and one Co(5) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(4), and one Co(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(3) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(2), and one Co(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Co(1), and one Co(5) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(2), and one Co(6) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(1), and one Co(6) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(1), and one Co(4) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(2), and one Co(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.726
_cell_length_c   5.983
_cell_angle_alpha   117.484
_cell_angle_beta   91.044
_cell_angle_gamma   119.761
_symmetry_Int_Tables_number   1
_cell_volume   142.957
_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  0.500  0.500  0.000  1.0
  Co  Co1  1  0.000  0.500  0.000  1.0
  Co  Co2  1  0.500  1.000  1.000  1.0
  Li  Li3  1  0.999  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.236  0.956  0.191  1.0
  O  O6  1  0.765  0.044  0.808  1.0
  O  O7  1  0.738  0.454  0.193  1.0
  O  O8  1  0.262  0.545  0.807  1.0
  O  O9  1  0.222  0.460  0.198  1.0
  O  O10  1  0.735  0.973  0.197  1.0
  O  O11  1  0.264  0.027  0.803  1.0
  O  O12  1  0.779  0.540  0.802  1.0
[/CIF]
.