The material structure described by Li3MnCoO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, 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 Li(4)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Li site, Li(3) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)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 7-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)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 7-10°. Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Co(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li5Co octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), and one Co(1) atom to form OLi5Co octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(2)Li5Co octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li5Co octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(2)Li5Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to three equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(2)Li5Co octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(2)Li5Co octahedra, and edges with four equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with four equivalent O(3)Li3Mn2Co octahedra, and edges with four equivalent O(2)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF file [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   7.800
_cell_length_c   8.046
_cell_angle_alpha   104.284
_cell_angle_beta   90.871
_cell_angle_gamma   96.193
_symmetry_Int_Tables_number   1
_cell_volume   183.189
_cell_formula_units_Z   2
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  0.596  0.193  0.792  1.0
  Li  Li1  1  0.802  0.602  0.405  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.198  0.398  0.595  1.0
  Li  Li4  1  0.404  0.807  0.208  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.804  0.602  0.897  1.0
  Mn  Mn7  1  0.196  0.398  0.103  1.0
  Co  Co8  1  0.410  0.811  0.692  1.0
  Co  Co9  1  0.590  0.189  0.308  1.0
  O  O10  1  0.175  0.403  0.860  1.0
  O  O11  1  0.392  0.796  0.473  1.0
  O  O12  1  0.582  0.206  0.072  1.0
  O  O13  1  0.784  0.613  0.660  1.0
  O  O14  1  0.985  0.015  0.254  1.0
  O  O15  1  0.015  0.985  0.746  1.0
  O  O16  1  0.216  0.387  0.340  1.0
  O  O17  1  0.418  0.794  0.928  1.0
  O  O18  1  0.608  0.204  0.527  1.0
  O  O19  1  0.825  0.597  0.140  1.0
[/CIF]
.
The material structure described by Li3MnCoO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, 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 Li(4)O6 octahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second Li site, Li(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the third Li site, Li(3) is bonded to two equivalent O(5) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Li(3)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 7-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(5) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)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 7-10°. Mn(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Co(1) is bonded to one O(2), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), and three equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with two equivalent O(2)Li5Co octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, and edges with four equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Li(4), and one Co(1) atom to form OLi5Co octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(2)Li5Co octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(2)Li5Co octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(3), two equivalent Mn(1), and one Co(1) atom to form OLi3Mn2Co octahedra that share corners with two equivalent O(3)Li3Mn2Co octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(2)Li5Co octahedra, edges with two equivalent O(4)Li3MnCo2 octahedra, edges with three equivalent O(3)Li3Mn2Co octahedra, edges with three equivalent O(1)Li3Mn3 octahedra, and edges with four equivalent O(5)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the fourth O site, O(4) is bonded to three equivalent Li(2), one Mn(1), and two equivalent Co(1) atoms to form OLi3MnCo2 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(5)Li4Co2 octahedra, corners with two equivalent O(2)Li5Co octahedra,  an edgeedge with one O(5)Li4Co2 octahedra, edges with two equivalent O(3)Li3Mn2Co octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with three equivalent O(2)Li5Co octahedra, and edges with four equivalent O(4)Li3MnCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(4)Li3MnCo2 octahedra, corners with two equivalent O(5)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(4)Li3MnCo2 octahedra, edges with two equivalent O(5)Li4Co2 octahedra, edges with four equivalent O(3)Li3Mn2Co octahedra, and edges with four equivalent O(2)Li5Co octahedra. The corner-sharing octahedral tilt angles range from 0-8°. is represented by the CIF file [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.033
_cell_length_b   7.800
_cell_length_c   8.046
_cell_angle_alpha   104.284
_cell_angle_beta   90.871
_cell_angle_gamma   96.193
_symmetry_Int_Tables_number   1
_cell_volume   183.189
_cell_formula_units_Z   2
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  0.596  0.193  0.792  1.0
  Li  Li1  1  0.802  0.602  0.405  1.0
  Li  Li2  1  0.000  0.000  0.000  1.0
  Li  Li3  1  0.198  0.398  0.595  1.0
  Li  Li4  1  0.404  0.807  0.208  1.0
  Li  Li5  1  0.000  0.000  0.500  1.0
  Mn  Mn6  1  0.804  0.602  0.897  1.0
  Mn  Mn7  1  0.196  0.398  0.103  1.0
  Co  Co8  1  0.410  0.811  0.692  1.0
  Co  Co9  1  0.590  0.189  0.308  1.0
  O  O10  1  0.175  0.403  0.860  1.0
  O  O11  1  0.392  0.796  0.473  1.0
  O  O12  1  0.582  0.206  0.072  1.0
  O  O13  1  0.784  0.613  0.660  1.0
  O  O14  1  0.985  0.015  0.254  1.0
  O  O15  1  0.015  0.985  0.746  1.0
  O  O16  1  0.216  0.387  0.340  1.0
  O  O17  1  0.418  0.794  0.928  1.0
  O  O18  1  0.608  0.204  0.527  1.0
  O  O19  1  0.825  0.597  0.140  1.0
[/CIF]
.