The material described by Li10Mn5Fe3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(13), one O(16), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(15), one O(2), one O(3), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(13), one O(14), one O(2), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(12), one O(13), one O(16), one O(4), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(3), one O(8), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(4), and one O(6) atom. In the ninth Li site, Li(9) is bonded to one O(14), one O(15), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-65°. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(2), one O(3), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-57°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), and one O(5) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(15), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(13), one O(14), one O(16), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(3), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Fe site, Fe(2) is bonded to one O(10), one O(16), one O(2), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(15), one O(3), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(6), one Mn(3), one Fe(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(5), one Li(9), one Mn(1), one Mn(2), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(7), one Mn(1), one Fe(1), and one Fe(3) atom to form OLi3MnFe2 octahedra that share edges with two equivalent O(11)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Li(8), one Mn(2), one Mn(3), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(10)Li3Mn2Fe octahedra, edges with two equivalent O(13)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(2), one Mn(3), one Mn(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(6), one Li(8), one Mn(4), one Fe(1), and one Fe(3) atom to form distorted OLi3MnFe2 pentagonal pyramids that share  an edgeedge with one O(10)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3Mn2Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra, and  an edgeedge with one O(3)Li3MnFe2 octahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(5), one Li(9), one Mn(1), one Mn(5), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Mn(1), one Mn(4), and one Fe(1) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(11)Li3Mn2Fe octahedra, edges with two equivalent O(3)Li3MnFe2 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Li(7), one Mn(2), one Mn(5), and one Fe(2) atom to form distorted OLi3Mn2Fe pentagonal pyramids that share  an edgeedge with one O(10)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3Mn2Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra, and  an edgeedge with one O(3)Li3MnFe2 octahedra. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(8), one Mn(3), one Mn(5), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(13)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(4), and one Fe(3) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(8)Li3Mn2Fe octahedra, edges with two equivalent O(3)Li3MnFe2 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Mn(3), one Mn(4), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share edges with two equivalent O(10)Li3Mn2Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), one Mn(1), one Mn(2), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(7), one Li(9), one Mn(4), one Fe(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(6), one Li(8), one Mn(2), one Mn(5), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Li10Mn5Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   6.030
_cell_length_c   10.022
_cell_angle_alpha   90.917
_cell_angle_beta   90.468
_cell_angle_gamma   118.876
_symmetry_Int_Tables_number   1
_cell_volume   315.732
_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  0.206  0.395  0.066  1.0
  Li  Li1  1  0.687  0.341  0.776  1.0
  Li  Li2  1  0.818  0.187  0.564  1.0
  Li  Li3  1  0.404  0.186  0.564  1.0
  Li  Li4  1  0.350  0.673  0.274  1.0
  Li  Li5  1  0.213  0.812  0.058  1.0
  Li  Li6  1  0.804  0.603  0.555  1.0
  Li  Li7  1  0.618  0.791  0.056  1.0
  Li  Li8  1  0.019  0.996  0.480  1.0
  Li  Li9  1  0.016  0.014  0.985  1.0
  Mn  Mn10  1  0.346  0.660  0.523  1.0
  Mn  Mn11  1  0.844  0.167  0.286  1.0
  Mn  Mn12  1  0.682  0.333  0.027  1.0
  Mn  Mn13  1  0.682  0.837  0.785  1.0
  Mn  Mn14  1  0.846  0.662  0.285  1.0
  Fe  Fe15  1  0.188  0.342  0.786  1.0
  Fe  Fe16  1  0.349  0.167  0.286  1.0
  Fe  Fe17  1  0.184  0.835  0.785  1.0
  O  O18  1  0.332  0.161  0.903  1.0
  O  O19  1  0.166  0.310  0.397  1.0
  O  O20  1  0.025  0.508  0.668  1.0
  O  O21  1  0.524  0.016  0.174  1.0
  O  O22  1  0.850  0.161  0.896  1.0
  O  O23  1  0.328  0.660  0.910  1.0
  O  O24  1  0.180  0.843  0.390  1.0
  O  O25  1  0.511  0.508  0.674  1.0
  O  O26  1  0.667  0.300  0.406  1.0
  O  O27  1  0.516  0.487  0.176  1.0
  O  O28  1  0.511  0.980  0.672  1.0
  O  O29  1  0.849  0.694  0.901  1.0
  O  O30  1  0.003  0.518  0.164  1.0
  O  O31  1  0.692  0.804  0.408  1.0
  O  O32  1  0.041  0.016  0.666  1.0
  O  O33  1  0.026  0.033  0.171  1.0
[/CIF]
.
The material described by Li10Mn5Fe3O16 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(13), one O(16), and one O(6) atom. In the second Li site, Li(2) is bonded to one O(1), one O(11), one O(12), one O(3), one O(5), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  a faceface with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-13°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(11), one O(14), one O(15), one O(2), one O(3), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(2), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(10), one O(13), one O(14), one O(2), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one O(1), one O(12), one O(13), one O(16), one O(4), and one O(6) atom. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(14), one O(15), one O(3), one O(8), and one O(9) atom. In the eighth Li site, Li(8) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(16), one O(4), and one O(6) atom. In the ninth Li site, Li(9) is bonded to one O(14), one O(15), one O(2), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-65°. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(16), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-66°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(14), one O(2), one O(3), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and  a faceface with one Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-57°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), one O(16), one O(2), one O(4), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(12), one O(13), one O(4), and one O(5) atom to form distorted MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Li(10)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and  a faceface with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-54°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(12), one O(15), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(13), one O(14), one O(16), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(15), one O(3), one O(5), one O(6), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. In the second Fe site, Fe(2) is bonded to one O(10), one O(16), one O(2), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Li(10)O4 tetrahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and  an edgeedge with one Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(15), one O(3), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Li(9)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(6), one Mn(3), one Fe(1), and one Fe(3) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(5), one Li(9), one Mn(1), one Mn(2), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(7), one Mn(1), one Fe(1), and one Fe(3) atom to form OLi3MnFe2 octahedra that share edges with two equivalent O(11)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Li(8), one Mn(2), one Mn(3), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(10)Li3Mn2Fe octahedra, edges with two equivalent O(13)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Li(10), one Li(2), one Mn(3), one Mn(4), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(6), one Li(8), one Mn(4), one Fe(1), and one Fe(3) atom to form distorted OLi3MnFe2 pentagonal pyramids that share  an edgeedge with one O(10)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3Mn2Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra, and  an edgeedge with one O(3)Li3MnFe2 octahedra. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Li(5), one Li(9), one Mn(1), one Mn(5), and one Fe(2) atom. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(7), one Mn(1), one Mn(4), and one Fe(1) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(11)Li3Mn2Fe octahedra, edges with two equivalent O(3)Li3MnFe2 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the ninth O site, O(9) is bonded to one Li(3), one Li(4), one Li(7), one Mn(2), one Mn(5), and one Fe(2) atom to form distorted OLi3Mn2Fe pentagonal pyramids that share  an edgeedge with one O(10)Li3Mn2Fe octahedra,  an edgeedge with one O(11)Li3Mn2Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li3Mn2Fe octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra, and  an edgeedge with one O(3)Li3MnFe2 octahedra. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(8), one Mn(3), one Mn(5), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(13)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the eleventh O site, O(11) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(4), and one Fe(3) atom to form OLi3Mn2Fe octahedra that share edges with two equivalent O(8)Li3Mn2Fe octahedra, edges with two equivalent O(3)Li3MnFe2 octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(2), one Li(6), one Li(8), one Mn(3), one Mn(4), and one Fe(3) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share edges with two equivalent O(10)Li3Mn2Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(9)Li3Mn2Fe pentagonal pyramid, and  an edgeedge with one O(6)Li3MnFe2 pentagonal pyramid. In the fourteenth O site, O(14) is bonded in a 7-coordinate geometry to one Li(3), one Li(5), one Li(7), one Li(9), one Mn(1), one Mn(2), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 7-coordinate geometry to one Li(3), one Li(4), one Li(7), one Li(9), one Mn(4), one Fe(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a 7-coordinate geometry to one Li(1), one Li(10), one Li(6), one Li(8), one Mn(2), one Mn(5), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Li10Mn5Fe3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.968
_cell_length_b   6.030
_cell_length_c   10.022
_cell_angle_alpha   90.917
_cell_angle_beta   90.468
_cell_angle_gamma   118.876
_symmetry_Int_Tables_number   1
_cell_volume   315.732
_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  0.206  0.395  0.066  1.0
  Li  Li1  1  0.687  0.341  0.776  1.0
  Li  Li2  1  0.818  0.187  0.564  1.0
  Li  Li3  1  0.404  0.186  0.564  1.0
  Li  Li4  1  0.350  0.673  0.274  1.0
  Li  Li5  1  0.213  0.812  0.058  1.0
  Li  Li6  1  0.804  0.603  0.555  1.0
  Li  Li7  1  0.618  0.791  0.056  1.0
  Li  Li8  1  0.019  0.996  0.480  1.0
  Li  Li9  1  0.016  0.014  0.985  1.0
  Mn  Mn10  1  0.346  0.660  0.523  1.0
  Mn  Mn11  1  0.844  0.167  0.286  1.0
  Mn  Mn12  1  0.682  0.333  0.027  1.0
  Mn  Mn13  1  0.682  0.837  0.785  1.0
  Mn  Mn14  1  0.846  0.662  0.285  1.0
  Fe  Fe15  1  0.188  0.342  0.786  1.0
  Fe  Fe16  1  0.349  0.167  0.286  1.0
  Fe  Fe17  1  0.184  0.835  0.785  1.0
  O  O18  1  0.332  0.161  0.903  1.0
  O  O19  1  0.166  0.310  0.397  1.0
  O  O20  1  0.025  0.508  0.668  1.0
  O  O21  1  0.524  0.016  0.174  1.0
  O  O22  1  0.850  0.161  0.896  1.0
  O  O23  1  0.328  0.660  0.910  1.0
  O  O24  1  0.180  0.843  0.390  1.0
  O  O25  1  0.511  0.508  0.674  1.0
  O  O26  1  0.667  0.300  0.406  1.0
  O  O27  1  0.516  0.487  0.176  1.0
  O  O28  1  0.511  0.980  0.672  1.0
  O  O29  1  0.849  0.694  0.901  1.0
  O  O30  1  0.003  0.518  0.164  1.0
  O  O31  1  0.692  0.804  0.408  1.0
  O  O32  1  0.041  0.016  0.666  1.0
  O  O33  1  0.026  0.033  0.171  1.0
[/CIF]
.