The structure described by Li4Mn(Ni2O5)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), 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 Ni(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(4)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(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fifth Li site, Li(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(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 Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two 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(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,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(9), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(2)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)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(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with three equivalent Li(1)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li3Mn2Ni octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Mn2Ni square pyramid,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form OLi3Mn2Ni octahedra that share corners with two equivalent O(2)Li3Mn2Ni octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(10)Li2MnNi2 square pyramids, and edges with three equivalent O(7)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Mn2Ni square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2MnNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(10)Li2MnNi2 square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Mn2Ni octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(10)Li2MnNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ni(4), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Mn2Ni octahedra, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Ni(3) atom to form OLi2Mn2Ni square pyramids that share corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(2)Li3Mn2Ni octahedra, and  an edgeedge with one O(10)Li2MnNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Mn(1), one Ni(1), and one Ni(3) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(5), one Ni(2), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(7)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni3 square pyramid, and edges with two equivalent O(1)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Mn(2), one Ni(1), and one Ni(3) atom to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(2)Li3Mn2Ni octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Mn2Ni square pyramid,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(10)Li2MnNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn(Ni2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   6.529
_cell_length_c   10.017
_cell_angle_alpha   96.978
_cell_angle_beta   106.717
_cell_angle_gamma   102.783
_symmetry_Int_Tables_number   1
_cell_volume   345.700
_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  0.797  0.291  0.205  1.0
  Li  Li1  1  0.697  0.710  0.796  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.893  0.909  0.595  1.0
  Li  Li4  1  0.303  0.290  0.204  1.0
  Li  Li5  1  0.203  0.709  0.795  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.107  0.091  0.405  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.794  0.288  0.696  1.0
  Ni  Ni11  1  0.596  0.094  0.897  1.0
  Ni  Ni12  1  0.699  0.704  0.297  1.0
  Ni  Ni13  1  0.404  0.906  0.103  1.0
  Ni  Ni14  1  0.301  0.296  0.703  1.0
  Ni  Ni15  1  0.100  0.097  0.903  1.0
  Ni  Ni16  1  0.206  0.712  0.304  1.0
  Ni  Ni17  1  0.900  0.903  0.097  1.0
  O  O18  1  0.783  0.012  0.770  1.0
  O  O19  1  0.840  0.586  0.636  1.0
  O  O20  1  0.765  0.993  0.231  1.0
  O  O21  1  0.628  0.367  0.845  1.0
  O  O22  1  0.849  0.632  0.150  1.0
  O  O23  1  0.431  0.174  0.043  1.0
  O  O24  1  0.235  0.007  0.769  1.0
  O  O25  1  0.340  0.593  0.635  1.0
  O  O26  1  0.660  0.407  0.365  1.0
  O  O27  1  0.569  0.826  0.957  1.0
  O  O28  1  0.443  0.233  0.560  1.0
  O  O29  1  0.217  0.988  0.230  1.0
  O  O30  1  0.372  0.633  0.155  1.0
  O  O31  1  0.151  0.368  0.850  1.0
  O  O32  1  0.557  0.767  0.440  1.0
  O  O33  1  0.953  0.177  0.044  1.0
  O  O34  1  0.160  0.414  0.364  1.0
  O  O35  1  0.047  0.823  0.956  1.0
  O  O36  1  0.983  0.229  0.560  1.0
  O  O37  1  0.017  0.771  0.440  1.0
[/CIF]
.
The structure described by Li4Mn(Ni2O5)2 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), 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 Ni(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Ni(4)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(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-14°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Ni(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 Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Li site, Li(3) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(8), and two equivalent O(10) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(1)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 Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the fifth Li site, Li(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(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 Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the second Mn site, Mn(2) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two 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(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,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the second Ni site, Ni(2) is bonded to one O(1), one O(3), one O(4), one O(9), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(2)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the third Ni site, Ni(3) is bonded to one O(10), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Li(1)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(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-14°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(3), one O(5), one O(6), and two equivalent O(9) atoms to form NiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with three equivalent Li(1)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 Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ni(1), one Ni(2), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(2)Li3Mn2Ni octahedra,  a cornercorner with one O(4)Li3Ni3 octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Mn2Ni square pyramid,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2MnNi2 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form OLi3Mn2Ni octahedra that share corners with two equivalent O(2)Li3Mn2Ni octahedra, corners with two equivalent O(6)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra,  an edgeedge with one O(1)Li2Ni3 square pyramid,  an edgeedge with one O(3)Li2Ni3 square pyramid, edges with two equivalent O(10)Li2MnNi2 square pyramids, and edges with three equivalent O(7)Li2Mn2Ni square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Li(1), one Li(4), one Ni(2), one Ni(3), and one Ni(4) atom to form OLi2Ni3 square pyramids that share  a cornercorner with one O(5)Li3Ni3 octahedra, corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Mn2Ni square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(10)Li2MnNi2 square pyramid, and  an edgeedge with one O(1)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Li(5), one Ni(1), one Ni(2), and one Ni(3) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(10)Li2MnNi2 square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, edges with three equivalent O(5)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Li(5), one Ni(1), one Ni(3), and one Ni(4) atom to form OLi3Ni3 octahedra that share  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(5)Li3Ni3 octahedra,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(2)Li3Mn2Ni octahedra, edges with two equivalent O(6)Li3Ni3 octahedra, edges with two equivalent O(9)Li3Ni3 octahedra, edges with three equivalent O(4)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(10)Li2MnNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Ni(4), and two equivalent Ni(2) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(4)Li3Ni3 octahedra,  a cornercorner with one O(6)Li3Ni3 octahedra, corners with two equivalent O(2)Li3Mn2Ni octahedra, corners with two equivalent O(1)Li2Ni3 square pyramids,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(9)Li3Ni3 octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and edges with two equivalent O(3)Li2Ni3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Ni(3) atom to form OLi2Mn2Ni square pyramids that share corners with two equivalent O(9)Li3Ni3 octahedra,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid, corners with two equivalent O(7)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(4)Li3Ni3 octahedra,  an edgeedge with one O(5)Li3Ni3 octahedra,  an edgeedge with one O(6)Li3Ni3 octahedra, edges with three equivalent O(2)Li3Mn2Ni octahedra, and  an edgeedge with one O(10)Li2MnNi2 square pyramid. The corner-sharing octahedral tilt angles range from 1-2°. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(4), one Mn(1), one Ni(1), and one Ni(3) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(5), one Ni(2), and two equivalent Ni(4) atoms to form OLi3Ni3 octahedra that share  a cornercorner with one O(5)Li3Ni3 octahedra,  a cornercorner with one O(9)Li3Ni3 octahedra, corners with two equivalent O(7)Li2Mn2Ni square pyramids, corners with two equivalent O(3)Li2Ni3 square pyramids,  an edgeedge with one O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(9)Li3Ni3 octahedra, edges with two equivalent O(4)Li3Ni3 octahedra, edges with two equivalent O(5)Li3Ni3 octahedra, edges with three equivalent O(6)Li3Ni3 octahedra,  an edgeedge with one O(3)Li2Ni3 square pyramid, and edges with two equivalent O(1)Li2Ni3 square pyramids. The corner-sharing octahedra are not tilted. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Mn(2), one Ni(1), and one Ni(3) atom to form OLi2MnNi2 square pyramids that share  a cornercorner with one O(2)Li3Mn2Ni octahedra, corners with two equivalent O(4)Li3Ni3 octahedra,  a cornercorner with one O(7)Li2Mn2Ni square pyramid,  a cornercorner with one O(10)Li2MnNi2 square pyramid,  a cornercorner with one O(1)Li2Ni3 square pyramid,  a cornercorner with one O(3)Li2Ni3 square pyramid,  an edgeedge with one O(5)Li3Ni3 octahedra, edges with two equivalent O(2)Li3Mn2Ni octahedra,  an edgeedge with one O(7)Li2Mn2Ni square pyramid,  an edgeedge with one O(10)Li2MnNi2 square pyramid,  an edgeedge with one O(1)Li2Ni3 square pyramid, and  an edgeedge with one O(3)Li2Ni3 square pyramid. The corner-sharing octahedral tilt angles range from 1-6°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Mn(Ni2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   6.529
_cell_length_c   10.017
_cell_angle_alpha   96.978
_cell_angle_beta   106.717
_cell_angle_gamma   102.783
_symmetry_Int_Tables_number   1
_cell_volume   345.700
_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  0.797  0.291  0.205  1.0
  Li  Li1  1  0.697  0.710  0.796  1.0
  Li  Li2  1  0.500  0.500  0.000  1.0
  Li  Li3  1  0.893  0.909  0.595  1.0
  Li  Li4  1  0.303  0.290  0.204  1.0
  Li  Li5  1  0.203  0.709  0.795  1.0
  Li  Li6  1  0.000  0.500  0.000  1.0
  Li  Li7  1  0.107  0.091  0.405  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.500  0.500  1.0
  Ni  Ni10  1  0.794  0.288  0.696  1.0
  Ni  Ni11  1  0.596  0.094  0.897  1.0
  Ni  Ni12  1  0.699  0.704  0.297  1.0
  Ni  Ni13  1  0.404  0.906  0.103  1.0
  Ni  Ni14  1  0.301  0.296  0.703  1.0
  Ni  Ni15  1  0.100  0.097  0.903  1.0
  Ni  Ni16  1  0.206  0.712  0.304  1.0
  Ni  Ni17  1  0.900  0.903  0.097  1.0
  O  O18  1  0.783  0.012  0.770  1.0
  O  O19  1  0.840  0.586  0.636  1.0
  O  O20  1  0.765  0.993  0.231  1.0
  O  O21  1  0.628  0.367  0.845  1.0
  O  O22  1  0.849  0.632  0.150  1.0
  O  O23  1  0.431  0.174  0.043  1.0
  O  O24  1  0.235  0.007  0.769  1.0
  O  O25  1  0.340  0.593  0.635  1.0
  O  O26  1  0.660  0.407  0.365  1.0
  O  O27  1  0.569  0.826  0.957  1.0
  O  O28  1  0.443  0.233  0.560  1.0
  O  O29  1  0.217  0.988  0.230  1.0
  O  O30  1  0.372  0.633  0.155  1.0
  O  O31  1  0.151  0.368  0.850  1.0
  O  O32  1  0.557  0.767  0.440  1.0
  O  O33  1  0.953  0.177  0.044  1.0
  O  O34  1  0.160  0.414  0.364  1.0
  O  O35  1  0.047  0.823  0.956  1.0
  O  O36  1  0.983  0.229  0.560  1.0
  O  O37  1  0.017  0.771  0.440  1.0
[/CIF]
.