The material structure described by Li5Mn3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-24°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), two equivalent Mn(2), and one Ni(1) atom to form distorted OLi2Mn3Ni octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4MnNi octahedra,  an edgeedge with one O(1)Li2Mn3Ni octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, and edges with four equivalent O(2)Li2Mn3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), two equivalent Mn(2), and one Ni(1) atom to form OLi2Mn3Ni octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(3)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li2Mn3Ni octahedra, edges with two equivalent O(5)Li4MnNi octahedra, and edges with four equivalent O(1)Li2Mn3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms to form OLi4Ni2 octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(2)Li2Mn3Ni octahedra,  an edgeedge with one O(2)Li2Mn3Ni octahedra, edges with two equivalent O(1)Li2Mn3Ni octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, and edges with four equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(2), and one Ni(1) atom to form OLi4MnNi octahedra that share  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(1)Li2Mn3Ni octahedra,  an edgeedge with one O(5)Li4MnNi octahedra, edges with two equivalent O(1)Li2Mn3Ni octahedra, edges with two equivalent O(2)Li2Mn3Ni octahedra, and edges with four equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   5.150
_cell_length_c   7.873
_cell_angle_alpha   107.371
_cell_angle_beta   102.901
_cell_angle_gamma   99.427
_symmetry_Int_Tables_number   1
_cell_volume   184.510
_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  0.198  0.935  0.425  1.0
  Li  Li1  1  0.392  0.280  0.765  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.608  0.720  0.235  1.0
  Li  Li4  1  0.802  0.065  0.575  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.691  0.898  0.895  1.0
  Mn  Mn7  1  0.309  0.102  0.105  1.0
  Ni  Ni8  1  0.098  0.688  0.682  1.0
  Ni  Ni9  1  0.902  0.312  0.318  1.0
  O  O10  1  0.038  0.111  0.872  1.0
  O  O11  1  0.363  0.739  0.956  1.0
  O  O12  1  0.143  0.306  0.553  1.0
  O  O13  1  0.236  0.459  0.218  1.0
  O  O14  1  0.475  0.907  0.674  1.0
  O  O15  1  0.525  0.093  0.326  1.0
  O  O16  1  0.764  0.541  0.782  1.0
  O  O17  1  0.857  0.694  0.447  1.0
  O  O18  1  0.637  0.261  0.044  1.0
  O  O19  1  0.962  0.889  0.128  1.0
[/CIF]
.
The material structure described by Li5Mn3(NiO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-24°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-16°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. Ni(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form distorted NiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-24°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), two equivalent Mn(2), and one Ni(1) atom to form distorted OLi2Mn3Ni octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(5)Li4MnNi octahedra,  an edgeedge with one O(1)Li2Mn3Ni octahedra, edges with two equivalent O(5)Li4MnNi octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, and edges with four equivalent O(2)Li2Mn3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-14°. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(1), two equivalent Mn(2), and one Ni(1) atom to form OLi2Mn3Ni octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra, corners with two equivalent O(3)Li4Ni2 octahedra,  an edgeedge with one O(3)Li4Ni2 octahedra, edges with two equivalent O(2)Li2Mn3Ni octahedra, edges with two equivalent O(5)Li4MnNi octahedra, and edges with four equivalent O(1)Li2Mn3Ni octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Ni(1) atoms to form OLi4Ni2 octahedra that share  a cornercorner with one O(1)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(2)Li2Mn3Ni octahedra,  an edgeedge with one O(2)Li2Mn3Ni octahedra, edges with two equivalent O(1)Li2Mn3Ni octahedra, edges with two equivalent O(3)Li4Ni2 octahedra, and edges with four equivalent O(5)Li4MnNi octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(2), and one Ni(1) atom. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Mn(2), and one Ni(1) atom to form OLi4MnNi octahedra that share  a cornercorner with one O(2)Li2Mn3Ni octahedra,  a cornercorner with one O(5)Li4MnNi octahedra,  a cornercorner with one O(3)Li4Ni2 octahedra, corners with two equivalent O(1)Li2Mn3Ni octahedra,  an edgeedge with one O(5)Li4MnNi octahedra, edges with two equivalent O(1)Li2Mn3Ni octahedra, edges with two equivalent O(2)Li2Mn3Ni octahedra, and edges with four equivalent O(3)Li4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Mn3(NiO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.049
_cell_length_b   5.150
_cell_length_c   7.873
_cell_angle_alpha   107.371
_cell_angle_beta   102.901
_cell_angle_gamma   99.427
_symmetry_Int_Tables_number   1
_cell_volume   184.510
_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  0.198  0.935  0.425  1.0
  Li  Li1  1  0.392  0.280  0.765  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Li  Li3  1  0.608  0.720  0.235  1.0
  Li  Li4  1  0.802  0.065  0.575  1.0
  Mn  Mn5  1  0.000  0.500  0.000  1.0
  Mn  Mn6  1  0.691  0.898  0.895  1.0
  Mn  Mn7  1  0.309  0.102  0.105  1.0
  Ni  Ni8  1  0.098  0.688  0.682  1.0
  Ni  Ni9  1  0.902  0.312  0.318  1.0
  O  O10  1  0.038  0.111  0.872  1.0
  O  O11  1  0.363  0.739  0.956  1.0
  O  O12  1  0.143  0.306  0.553  1.0
  O  O13  1  0.236  0.459  0.218  1.0
  O  O14  1  0.475  0.907  0.674  1.0
  O  O15  1  0.525  0.093  0.326  1.0
  O  O16  1  0.764  0.541  0.782  1.0
  O  O17  1  0.857  0.694  0.447  1.0
  O  O18  1  0.637  0.261  0.044  1.0
  O  O19  1  0.962  0.889  0.128  1.0
[/CIF]
.