The compound described by Li12MnCo(Ni5O12)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Li site, Li(2) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)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 5-10°. In the fourth Li site, Li(4) 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 Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fifth Li site, Li(5) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Li site, Li(6) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Mn(1) is bonded to two equivalent O(5) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. Co(1) is bonded to two equivalent O(4) and four equivalent O(6) 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 Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(9), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 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 Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), two equivalent Li(4), one Ni(2), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(5), two equivalent Li(4), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Co(1), and two equivalent Ni(4) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(4)Li3CoNi2 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with three equivalent O(5)Li3MnNi2 octahedra, and edges with six equivalent O(6)Li3MnCoNi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Ni(4) atoms to form OLi3MnNi2 octahedra that share corners with three equivalent O(5)Li3MnNi2 octahedra, corners with three equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with three equivalent O(4)Li3CoNi2 octahedra, and edges with six equivalent O(6)Li3MnCoNi octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(1), and one Ni(4) atom to form OLi3MnCoNi octahedra that share corners with three equivalent O(6)Li3MnCoNi octahedra, corners with three equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li3CoNi2 octahedra, edges with three equivalent O(6)Li3MnCoNi octahedra, and edges with three equivalent O(5)Li3MnNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(6)Li3MnCoNi octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3CoNi2 octahedra,  an edgeedge with one O(6)Li3MnCoNi octahedra,  an edgeedge with one O(5)Li3MnNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), one Ni(2), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(6)Li3MnCoNi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(3), one Ni(1), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3MnNi2 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3CoNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3MnCoNi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li12MnCo(Ni5O12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   5.804
_cell_length_c   14.283
_cell_angle_alpha   89.730
_cell_angle_beta   89.730
_cell_angle_gamma   59.922
_symmetry_Int_Tables_number   1
_cell_volume   416.293
_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  0.168  0.168  0.333  1.0
  Li  Li1  1  0.669  0.669  0.335  1.0
  Li  Li2  1  0.168  0.662  0.333  1.0
  Li  Li3  1  0.662  0.168  0.333  1.0
  Li  Li4  1  0.331  0.331  0.665  1.0
  Li  Li5  1  0.832  0.832  0.667  1.0
  Li  Li6  1  0.338  0.832  0.667  1.0
  Li  Li7  1  0.832  0.338  0.667  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  Li  Li10  1  0.500  0.500  0.000  1.0
  Li  Li11  1  0.000  0.000  0.000  1.0
  Mn  Mn12  1  0.500  0.500  0.500  1.0
  Co  Co13  1  0.000  0.000  0.500  1.0
  Ni  Ni14  1  0.167  0.167  0.833  1.0
  Ni  Ni15  1  0.667  0.667  0.834  1.0
  Ni  Ni16  1  0.166  0.666  0.834  1.0
  Ni  Ni17  1  0.666  0.166  0.834  1.0
  Ni  Ni18  1  0.333  0.333  0.166  1.0
  Ni  Ni19  1  0.833  0.833  0.167  1.0
  Ni  Ni20  1  0.334  0.834  0.166  1.0
  Ni  Ni21  1  0.834  0.334  0.166  1.0
  Ni  Ni22  1  0.500  0.000  0.500  1.0
  Ni  Ni23  1  0.000  0.500  0.500  1.0
  O  O24  1  0.177  0.177  0.090  1.0
  O  O25  1  0.658  0.658  0.097  1.0
  O  O26  1  0.178  0.648  0.091  1.0
  O  O27  1  0.648  0.178  0.091  1.0
  O  O28  1  0.159  0.159  0.578  1.0
  O  O29  1  0.660  0.660  0.575  1.0
  O  O30  1  0.183  0.661  0.579  1.0
  O  O31  1  0.661  0.183  0.579  1.0
  O  O32  1  0.340  0.340  0.425  1.0
  O  O33  1  0.841  0.841  0.422  1.0
  O  O34  1  0.339  0.817  0.421  1.0
  O  O35  1  0.817  0.339  0.421  1.0
  O  O36  1  0.342  0.342  0.903  1.0
  O  O37  1  0.823  0.823  0.910  1.0
  O  O38  1  0.352  0.822  0.909  1.0
  O  O39  1  0.822  0.352  0.909  1.0
  O  O40  1  0.513  0.979  0.759  1.0
  O  O41  1  0.979  0.513  0.759  1.0
  O  O42  1  0.512  0.512  0.760  1.0
  O  O43  1  0.992  0.992  0.763  1.0
  O  O44  1  0.487  0.021  0.241  1.0
  O  O45  1  0.021  0.487  0.241  1.0
  O  O46  1  0.488  0.488  0.240  1.0
  O  O47  1  0.008  0.008  0.237  1.0
[/CIF]
.
The compound described by Li12MnCo(Ni5O12)2 is Caswellsilverite-derived structured and crystallizes in the monoclinic C2/m space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the second Li site, Li(2) is bonded to one O(4), one O(8), two equivalent O(6), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the third Li site, Li(3) is bonded to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(1)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 5-10°. In the fourth Li site, Li(4) 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 Ni(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the fifth Li site, Li(5) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the sixth Li site, Li(6) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Mn(1) is bonded to two equivalent O(5) and four equivalent O(6) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. Co(1) is bonded to two equivalent O(4) and four equivalent O(6) 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 Mn(1)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with four equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(9), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. In the second Ni site, Ni(2) is bonded to one O(1), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the third Ni site, Ni(3) is bonded to one O(1), one O(2), one O(3), one O(7), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(4)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 Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 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 Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. There are nine inequivalent O sites. In the first O site, O(1) is bonded to one Li(6), two equivalent Li(4), one Ni(2), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Li(5), two equivalent Li(4), one Ni(1), and two equivalent Ni(3) atoms to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Li(4), one Li(5), one Li(6), one Ni(1), one Ni(2), and one Ni(3) atom to form a mixture of edge and corner-sharing OLi3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Li(3), one Co(1), and two equivalent Ni(4) atoms to form OLi3CoNi2 octahedra that share corners with three equivalent O(4)Li3CoNi2 octahedra, corners with three equivalent O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with three equivalent O(5)Li3MnNi2 octahedra, and edges with six equivalent O(6)Li3MnCoNi octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Mn(1), and two equivalent Ni(4) atoms to form OLi3MnNi2 octahedra that share corners with three equivalent O(5)Li3MnNi2 octahedra, corners with three equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with three equivalent O(4)Li3CoNi2 octahedra, and edges with six equivalent O(6)Li3MnCoNi octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Co(1), and one Ni(4) atom to form OLi3MnCoNi octahedra that share corners with three equivalent O(6)Li3MnCoNi octahedra, corners with three equivalent O(7)Li3Ni3 octahedra,  an edgeedge with one O(7)Li3Ni3 octahedra,  an edgeedge with one O(8)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li3CoNi2 octahedra, edges with three equivalent O(6)Li3MnCoNi octahedra, and edges with three equivalent O(5)Li3MnNi2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(3), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share corners with three equivalent O(6)Li3MnCoNi octahedra, corners with three equivalent O(3)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3CoNi2 octahedra,  an edgeedge with one O(6)Li3MnCoNi octahedra,  an edgeedge with one O(5)Li3MnNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra,  an edgeedge with one O(3)Li3Ni3 octahedra, edges with two equivalent O(7)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with two equivalent O(9)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), two equivalent Li(3), one Ni(2), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(4)Li3CoNi2 octahedra, corners with three equivalent O(1)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3MnNi2 octahedra,  an edgeedge with one O(2)Li3Ni3 octahedra, edges with two equivalent O(6)Li3MnCoNi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the ninth O site, O(9) is bonded to one Li(1), two equivalent Li(3), one Ni(1), and two equivalent Ni(3) atoms to form OLi3Ni3 octahedra that share corners with three equivalent O(5)Li3MnNi2 octahedra, corners with three equivalent O(2)Li3Ni3 octahedra,  an edgeedge with one O(4)Li3CoNi2 octahedra,  an edgeedge with one O(1)Li3Ni3 octahedra, edges with two equivalent O(6)Li3MnCoNi octahedra, edges with two equivalent O(3)Li3Ni3 octahedra, edges with two equivalent O(8)Li3Ni3 octahedra, and edges with four equivalent O(7)Li3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li12MnCo(Ni5O12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.804
_cell_length_b   5.804
_cell_length_c   14.283
_cell_angle_alpha   89.730
_cell_angle_beta   89.730
_cell_angle_gamma   59.922
_symmetry_Int_Tables_number   1
_cell_volume   416.293
_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  0.168  0.168  0.333  1.0
  Li  Li1  1  0.669  0.669  0.335  1.0
  Li  Li2  1  0.168  0.662  0.333  1.0
  Li  Li3  1  0.662  0.168  0.333  1.0
  Li  Li4  1  0.331  0.331  0.665  1.0
  Li  Li5  1  0.832  0.832  0.667  1.0
  Li  Li6  1  0.338  0.832  0.667  1.0
  Li  Li7  1  0.832  0.338  0.667  1.0
  Li  Li8  1  0.500  0.000  0.000  1.0
  Li  Li9  1  0.000  0.500  0.000  1.0
  Li  Li10  1  0.500  0.500  0.000  1.0
  Li  Li11  1  0.000  0.000  0.000  1.0
  Mn  Mn12  1  0.500  0.500  0.500  1.0
  Co  Co13  1  0.000  0.000  0.500  1.0
  Ni  Ni14  1  0.167  0.167  0.833  1.0
  Ni  Ni15  1  0.667  0.667  0.834  1.0
  Ni  Ni16  1  0.166  0.666  0.834  1.0
  Ni  Ni17  1  0.666  0.166  0.834  1.0
  Ni  Ni18  1  0.333  0.333  0.166  1.0
  Ni  Ni19  1  0.833  0.833  0.167  1.0
  Ni  Ni20  1  0.334  0.834  0.166  1.0
  Ni  Ni21  1  0.834  0.334  0.166  1.0
  Ni  Ni22  1  0.500  0.000  0.500  1.0
  Ni  Ni23  1  0.000  0.500  0.500  1.0
  O  O24  1  0.177  0.177  0.090  1.0
  O  O25  1  0.658  0.658  0.097  1.0
  O  O26  1  0.178  0.648  0.091  1.0
  O  O27  1  0.648  0.178  0.091  1.0
  O  O28  1  0.159  0.159  0.578  1.0
  O  O29  1  0.660  0.660  0.575  1.0
  O  O30  1  0.183  0.661  0.579  1.0
  O  O31  1  0.661  0.183  0.579  1.0
  O  O32  1  0.340  0.340  0.425  1.0
  O  O33  1  0.841  0.841  0.422  1.0
  O  O34  1  0.339  0.817  0.421  1.0
  O  O35  1  0.817  0.339  0.421  1.0
  O  O36  1  0.342  0.342  0.903  1.0
  O  O37  1  0.823  0.823  0.910  1.0
  O  O38  1  0.352  0.822  0.909  1.0
  O  O39  1  0.822  0.352  0.909  1.0
  O  O40  1  0.513  0.979  0.759  1.0
  O  O41  1  0.979  0.513  0.759  1.0
  O  O42  1  0.512  0.512  0.760  1.0
  O  O43  1  0.992  0.992  0.763  1.0
  O  O44  1  0.487  0.021  0.241  1.0
  O  O45  1  0.021  0.487  0.241  1.0
  O  O46  1  0.488  0.488  0.240  1.0
  O  O47  1  0.008  0.008  0.237  1.0
[/CIF]
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