The material described by Li4Mn5Ni3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(3), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(10)LiMnNi2 tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMn2Ni trigonal pyramids, and edges with two equivalent O(6)LiMn2Ni trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Mn(1), and one Ni(1) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(2)LiMn3 trigonal pyramids and corners with four equivalent O(6)LiMn2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(3), and two equivalent Ni(2) atoms to form corner-sharing OLiMnNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share  a cornercorner with one O(10)LiMnNi2 tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra,  a cornercorner with one O(6)LiMn2Ni trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid,  an edgeedge with one O(6)LiMn2Ni trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(4), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Ni(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Mn(3), and two equivalent Ni(2) atoms to form distorted OLiMnNi2 tetrahedra that share corners with three equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(2)LiMn3 trigonal pyramid, corners with two equivalent O(6)LiMn2Ni trigonal pyramids, and  an edgeedge with one O(12)LiMnNi2 tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(4), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra. is represented by the CIF file [CIF]
data_Li4Mn5Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.748
_cell_length_c   9.369
_cell_angle_alpha   89.999
_cell_angle_beta   91.642
_cell_angle_gamma   119.663
_symmetry_Int_Tables_number   1
_cell_volume   271.649
_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  0.326  0.663  0.897  1.0
  Li  Li1  1  0.988  0.994  0.991  1.0
  Li  Li2  1  0.003  0.001  0.497  1.0
  Li  Li3  1  0.666  0.333  0.399  1.0
  Mn  Mn4  1  0.171  0.832  0.214  1.0
  Mn  Mn5  1  0.343  0.672  0.487  1.0
  Mn  Mn6  1  0.171  0.339  0.214  1.0
  Mn  Mn7  1  0.345  0.173  0.715  1.0
  Mn  Mn8  1  0.675  0.337  0.983  1.0
  Ni  Ni9  1  0.660  0.830  0.212  1.0
  Ni  Ni10  1  0.831  0.662  0.712  1.0
  Ni  Ni11  1  0.831  0.169  0.712  1.0
  O  O12  1  0.183  0.841  0.598  1.0
  O  O13  1  0.038  0.519  0.337  1.0
  O  O14  1  0.316  0.658  0.106  1.0
  O  O15  1  0.010  0.005  0.307  1.0
  O  O16  1  0.008  0.004  0.801  1.0
  O  O17  1  0.183  0.342  0.598  1.0
  O  O18  1  0.470  0.961  0.346  1.0
  O  O19  1  0.470  0.509  0.346  1.0
  O  O20  1  0.326  0.163  0.102  1.0
  O  O21  1  0.675  0.837  0.593  1.0
  O  O22  1  0.507  0.472  0.847  1.0
  O  O23  1  0.507  0.035  0.847  1.0
  O  O24  1  0.662  0.331  0.610  1.0
  O  O25  1  0.842  0.667  0.096  1.0
  O  O26  1  0.953  0.476  0.845  1.0
  O  O27  1  0.842  0.175  0.096  1.0
[/CIF]
.
The material described by Li4Mn5Ni3O16 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-66°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form NiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Mn(3), and one Ni(2) atom. In the second O site, O(2) is bonded to one Li(4), one Mn(2), and two equivalent Mn(1) atoms to form distorted OLiMn3 trigonal pyramids that share  a cornercorner with one O(10)LiMnNi2 tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra, corners with two equivalent O(6)LiMn2Ni trigonal pyramids, and edges with two equivalent O(6)LiMn2Ni trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Mn(1), and one Ni(1) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(2)LiMn3 trigonal pyramids and corners with four equivalent O(6)LiMn2Ni trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(3), and two equivalent Ni(2) atoms to form corner-sharing OLiMnNi2 tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Mn(2), and one Ni(1) atom to form distorted OLiMn2Ni trigonal pyramids that share  a cornercorner with one O(10)LiMnNi2 tetrahedra, corners with two equivalent O(4)LiMn2Ni tetrahedra,  a cornercorner with one O(6)LiMn2Ni trigonal pyramid,  a cornercorner with one O(2)LiMn3 trigonal pyramid,  an edgeedge with one O(6)LiMn2Ni trigonal pyramid, and  an edgeedge with one O(2)LiMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(4), and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), and two equivalent Ni(2) atoms. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(4), and one Ni(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Mn(3), and two equivalent Ni(2) atoms to form distorted OLiMnNi2 tetrahedra that share corners with three equivalent O(5)LiMnNi2 tetrahedra,  a cornercorner with one O(2)LiMn3 trigonal pyramid, corners with two equivalent O(6)LiMn2Ni trigonal pyramids, and  an edgeedge with one O(12)LiMnNi2 tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(4), and one Ni(1) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Mn(4), and two equivalent Ni(2) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra. is represented by the CIF file [CIF]
data_Li4Mn5Ni3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   5.748
_cell_length_c   9.369
_cell_angle_alpha   89.999
_cell_angle_beta   91.642
_cell_angle_gamma   119.663
_symmetry_Int_Tables_number   1
_cell_volume   271.649
_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  0.326  0.663  0.897  1.0
  Li  Li1  1  0.988  0.994  0.991  1.0
  Li  Li2  1  0.003  0.001  0.497  1.0
  Li  Li3  1  0.666  0.333  0.399  1.0
  Mn  Mn4  1  0.171  0.832  0.214  1.0
  Mn  Mn5  1  0.343  0.672  0.487  1.0
  Mn  Mn6  1  0.171  0.339  0.214  1.0
  Mn  Mn7  1  0.345  0.173  0.715  1.0
  Mn  Mn8  1  0.675  0.337  0.983  1.0
  Ni  Ni9  1  0.660  0.830  0.212  1.0
  Ni  Ni10  1  0.831  0.662  0.712  1.0
  Ni  Ni11  1  0.831  0.169  0.712  1.0
  O  O12  1  0.183  0.841  0.598  1.0
  O  O13  1  0.038  0.519  0.337  1.0
  O  O14  1  0.316  0.658  0.106  1.0
  O  O15  1  0.010  0.005  0.307  1.0
  O  O16  1  0.008  0.004  0.801  1.0
  O  O17  1  0.183  0.342  0.598  1.0
  O  O18  1  0.470  0.961  0.346  1.0
  O  O19  1  0.470  0.509  0.346  1.0
  O  O20  1  0.326  0.163  0.102  1.0
  O  O21  1  0.675  0.837  0.593  1.0
  O  O22  1  0.507  0.472  0.847  1.0
  O  O23  1  0.507  0.035  0.847  1.0
  O  O24  1  0.662  0.331  0.610  1.0
  O  O25  1  0.842  0.667  0.096  1.0
  O  O26  1  0.953  0.476  0.845  1.0
  O  O27  1  0.842  0.175  0.096  1.0
[/CIF]
.