The crystal structure described by Li3MnCoO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(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, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)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, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li4Mn2 octahedra,  a cornercorner with one O(9)Li4MnCo octahedra, corners with two equivalent O(10)Li3Mn2Co octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Mn(2), and one Co(2) atom to form OLi4MnCo octahedra that share  a cornercorner with one O(8)Li3MnCo2 octahedra,  a cornercorner with one O(7)Li4Co2 octahedra, corners with two equivalent O(10)Li3Mn2Co octahedra, corners with two equivalent O(9)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3MnCo2 octahedra, corners with two equivalent O(7)Li4Co2 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4MnCo octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(9)Li4MnCo octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, and edges with two equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, corners with two equivalent O(9)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, and edges with two equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3MnCo2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(2)Li4MnCo octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4MnCo octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(2)Li4MnCo octahedra, corners with two equivalent O(5)Li3MnCo2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, and edges with two equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Li(6), one Mn(2), and one Co(2) atom to form OLi4MnCo octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(5)Li3MnCo2 octahedra, corners with two equivalent O(2)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(7)Li4Co2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(5), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(2)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF file [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.892
_cell_length_c   6.604
_cell_angle_alpha   103.499
_cell_angle_beta   97.427
_cell_angle_gamma   106.847
_symmetry_Int_Tables_number   1
_cell_volume   177.610
_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  0.194  0.898  0.404  1.0
  Li  Li1  1  0.999  0.497  0.994  1.0
  Li  Li2  1  0.403  0.303  0.795  1.0
  Li  Li3  1  0.605  0.697  0.205  1.0
  Li  Li4  1  0.794  0.103  0.598  1.0
  Li  Li5  1  0.798  0.598  0.600  1.0
  Mn  Mn6  1  0.999  0.997  0.996  1.0
  Mn  Mn7  1  0.397  0.796  0.795  1.0
  Co  Co8  1  0.614  0.218  0.212  1.0
  Co  Co9  1  0.211  0.402  0.410  1.0
  O  O10  1  0.295  0.865  0.080  1.0
  O  O11  1  0.125  0.473  0.704  1.0
  O  O12  1  0.483  0.251  0.485  1.0
  O  O13  1  0.699  0.680  0.903  1.0
  O  O14  1  0.901  0.050  0.279  1.0
  O  O15  1  0.114  0.947  0.726  1.0
  O  O16  1  0.897  0.524  0.294  1.0
  O  O17  1  0.287  0.326  0.101  1.0
  O  O18  1  0.482  0.750  0.518  1.0
  O  O19  1  0.704  0.124  0.900  1.0
[/CIF]
.
The crystal structure described by Li3MnCoO5 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(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, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the second Li site, Li(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)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, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)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, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth Li site, Li(6) is bonded to one O(2), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(5), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(6)Li4Mn2 octahedra,  a cornercorner with one O(9)Li4MnCo octahedra, corners with two equivalent O(10)Li3Mn2Co octahedra, corners with two equivalent O(7)Li4Co2 octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(5), one Li(6), one Mn(2), and one Co(2) atom to form OLi4MnCo octahedra that share  a cornercorner with one O(8)Li3MnCo2 octahedra,  a cornercorner with one O(7)Li4Co2 octahedra, corners with two equivalent O(10)Li3Mn2Co octahedra, corners with two equivalent O(9)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(8)Li3MnCo2 octahedra, corners with two equivalent O(7)Li4Co2 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(2)Li4MnCo octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(4), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(7)Li4Co2 octahedra,  a cornercorner with one O(9)Li4MnCo octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, corners with two equivalent O(6)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, and edges with two equivalent O(2)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Li(5), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(10)Li3Mn2Co octahedra,  a cornercorner with one O(6)Li4Mn2 octahedra, corners with two equivalent O(8)Li3MnCo2 octahedra, corners with two equivalent O(9)Li4MnCo octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, and edges with two equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(2) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(5)Li3MnCo2 octahedra, corners with two equivalent O(3)Li4Co2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, edges with two equivalent O(2)Li4MnCo octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(4), one Li(6), one Co(1), and one Co(2) atom to form OLi4Co2 octahedra that share  a cornercorner with one O(4)Li4Mn2 octahedra,  a cornercorner with one O(2)Li4MnCo octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra, edges with two equivalent O(5)Li3MnCo2 octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, and edges with two equivalent O(9)Li4MnCo octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Co(1), and one Co(2) atom to form OLi3MnCo2 octahedra that share  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(2)Li4MnCo octahedra, corners with two equivalent O(5)Li3MnCo2 octahedra, corners with two equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(6)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(1)Li3Mn2Co octahedra, edges with two equivalent O(10)Li3Mn2Co octahedra, and edges with two equivalent O(7)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the ninth O site, O(9) is bonded to one Li(1), one Li(4), one Li(5), one Li(6), one Mn(2), and one Co(2) atom to form OLi4MnCo octahedra that share  a cornercorner with one O(1)Li3Mn2Co octahedra,  a cornercorner with one O(4)Li4Mn2 octahedra, corners with two equivalent O(5)Li3MnCo2 octahedra, corners with two equivalent O(2)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(10)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(8)Li3MnCo2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(7)Li4Co2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the tenth O site, O(10) is bonded to one Li(2), one Li(3), one Li(5), one Mn(1), one Mn(2), and one Co(1) atom to form OLi3Mn2Co octahedra that share  a cornercorner with one O(5)Li3MnCo2 octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(1)Li3Mn2Co octahedra, corners with two equivalent O(2)Li4MnCo octahedra,  an edgeedge with one O(1)Li3Mn2Co octahedra,  an edgeedge with one O(5)Li3MnCo2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra,  an edgeedge with one O(7)Li4Co2 octahedra,  an edgeedge with one O(2)Li4MnCo octahedra,  an edgeedge with one O(9)Li4MnCo octahedra, edges with two equivalent O(8)Li3MnCo2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and edges with two equivalent O(6)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. is represented by the CIF file [CIF]
data_Li3MnCoO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.892
_cell_length_c   6.604
_cell_angle_alpha   103.499
_cell_angle_beta   97.427
_cell_angle_gamma   106.847
_symmetry_Int_Tables_number   1
_cell_volume   177.610
_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  0.194  0.898  0.404  1.0
  Li  Li1  1  0.999  0.497  0.994  1.0
  Li  Li2  1  0.403  0.303  0.795  1.0
  Li  Li3  1  0.605  0.697  0.205  1.0
  Li  Li4  1  0.794  0.103  0.598  1.0
  Li  Li5  1  0.798  0.598  0.600  1.0
  Mn  Mn6  1  0.999  0.997  0.996  1.0
  Mn  Mn7  1  0.397  0.796  0.795  1.0
  Co  Co8  1  0.614  0.218  0.212  1.0
  Co  Co9  1  0.211  0.402  0.410  1.0
  O  O10  1  0.295  0.865  0.080  1.0
  O  O11  1  0.125  0.473  0.704  1.0
  O  O12  1  0.483  0.251  0.485  1.0
  O  O13  1  0.699  0.680  0.903  1.0
  O  O14  1  0.901  0.050  0.279  1.0
  O  O15  1  0.114  0.947  0.726  1.0
  O  O16  1  0.897  0.524  0.294  1.0
  O  O17  1  0.287  0.326  0.101  1.0
  O  O18  1  0.482  0.750  0.518  1.0
  O  O19  1  0.704  0.124  0.900  1.0
[/CIF]
.