The material described by Li2Mn3FeO8 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-68°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. Fe(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted corner-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(2), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(7)LiMn2Fe tetrahedra,  a cornercorner with one O(8)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(7)LiMn2Fe tetrahedra, and  an edgeedge with one O(8)LiMn2Fe tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Mn(2), one Mn(3), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(6)LiMn2Fe tetrahedra,  a cornercorner with one O(8)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(6)LiMn2Fe tetrahedra, and  an edgeedge with one O(8)LiMn2Fe tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(3), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(6)LiMn2Fe tetrahedra,  a cornercorner with one O(7)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(6)LiMn2Fe tetrahedra, and  an edgeedge with one O(7)LiMn2Fe tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.792
_cell_length_c   9.503
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   284.544
_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  0.666  0.664  0.890  1.0
  Li  Li1  1  0.334  0.336  0.390  1.0
  Li  Li2  1  0.005  0.994  0.998  1.0
  Li  Li3  1  0.995  0.006  0.498  1.0
  Mn  Mn4  1  0.828  0.339  0.213  1.0
  Mn  Mn5  1  0.172  0.661  0.713  1.0
  Mn  Mn6  1  0.339  0.832  0.218  1.0
  Mn  Mn7  1  0.831  0.828  0.213  1.0
  Mn  Mn8  1  0.169  0.172  0.713  1.0
  Mn  Mn9  1  0.661  0.168  0.718  1.0
  Fe  Fe10  1  0.674  0.666  0.493  1.0
  Fe  Fe11  1  0.326  0.334  0.993  1.0
  O  O12  1  0.691  0.654  0.102  1.0
  O  O13  1  0.309  0.346  0.602  1.0
  O  O14  1  0.974  0.011  0.312  1.0
  O  O15  1  0.026  0.989  0.812  1.0
  O  O16  1  0.321  0.839  0.600  1.0
  O  O17  1  0.847  0.328  0.604  1.0
  O  O18  1  0.156  0.162  0.106  1.0
  O  O19  1  0.844  0.838  0.606  1.0
  O  O20  1  0.153  0.672  0.104  1.0
  O  O21  1  0.679  0.161  0.100  1.0
  O  O22  1  0.525  0.516  0.335  1.0
  O  O23  1  0.534  0.962  0.337  1.0
  O  O24  1  0.962  0.515  0.333  1.0
  O  O25  1  0.038  0.485  0.833  1.0
  O  O26  1  0.466  0.038  0.837  1.0
  O  O27  1  0.475  0.484  0.835  1.0
[/CIF]
.
The material described by Li2Mn3FeO8 is Spinel-derived structured and crystallizes in the monoclinic P2_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-68°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-54°. Fe(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded to one Li(2), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted corner-sharing OLiMn3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one Fe(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Mn(1), one Mn(2), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(7)LiMn2Fe tetrahedra,  a cornercorner with one O(8)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(7)LiMn2Fe tetrahedra, and  an edgeedge with one O(8)LiMn2Fe tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Mn(2), one Mn(3), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(6)LiMn2Fe tetrahedra,  a cornercorner with one O(8)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(6)LiMn2Fe tetrahedra, and  an edgeedge with one O(8)LiMn2Fe tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Mn(1), one Mn(3), and one Fe(1) atom to form distorted OLiMn2Fe tetrahedra that share  a cornercorner with one O(6)LiMn2Fe tetrahedra,  a cornercorner with one O(7)LiMn2Fe tetrahedra, corners with two equivalent O(2)LiMn3 tetrahedra,  an edgeedge with one O(6)LiMn2Fe tetrahedra, and  an edgeedge with one O(7)LiMn2Fe tetrahedra. is represented by the CIF card [CIF]
data_Li2Mn3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.969
_cell_length_b   5.792
_cell_length_c   9.503
_cell_angle_alpha   90.002
_cell_angle_beta   90.002
_cell_angle_gamma   60.002
_symmetry_Int_Tables_number   1
_cell_volume   284.544
_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  0.666  0.664  0.890  1.0
  Li  Li1  1  0.334  0.336  0.390  1.0
  Li  Li2  1  0.005  0.994  0.998  1.0
  Li  Li3  1  0.995  0.006  0.498  1.0
  Mn  Mn4  1  0.828  0.339  0.213  1.0
  Mn  Mn5  1  0.172  0.661  0.713  1.0
  Mn  Mn6  1  0.339  0.832  0.218  1.0
  Mn  Mn7  1  0.831  0.828  0.213  1.0
  Mn  Mn8  1  0.169  0.172  0.713  1.0
  Mn  Mn9  1  0.661  0.168  0.718  1.0
  Fe  Fe10  1  0.674  0.666  0.493  1.0
  Fe  Fe11  1  0.326  0.334  0.993  1.0
  O  O12  1  0.691  0.654  0.102  1.0
  O  O13  1  0.309  0.346  0.602  1.0
  O  O14  1  0.974  0.011  0.312  1.0
  O  O15  1  0.026  0.989  0.812  1.0
  O  O16  1  0.321  0.839  0.600  1.0
  O  O17  1  0.847  0.328  0.604  1.0
  O  O18  1  0.156  0.162  0.106  1.0
  O  O19  1  0.844  0.838  0.606  1.0
  O  O20  1  0.153  0.672  0.104  1.0
  O  O21  1  0.679  0.161  0.100  1.0
  O  O22  1  0.525  0.516  0.335  1.0
  O  O23  1  0.534  0.962  0.337  1.0
  O  O24  1  0.962  0.515  0.333  1.0
  O  O25  1  0.038  0.485  0.833  1.0
  O  O26  1  0.466  0.038  0.837  1.0
  O  O27  1  0.475  0.484  0.835  1.0
[/CIF]
.