The structure described by Li2Mn2FeO6 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-75°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Mn2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.122
_cell_length_c   10.273
_cell_angle_alpha   90.006
_cell_angle_beta   90.006
_cell_angle_gamma   118.803
_symmetry_Int_Tables_number   1
_cell_volume   236.173
_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  0.128  0.630  0.750  1.0
  Li  Li1  1  0.370  0.872  0.250  1.0
  Li  Li2  1  0.639  0.140  0.750  1.0
  Li  Li3  1  0.860  0.361  0.250  1.0
  Mn  Mn4  1  0.667  0.333  0.000  1.0
  Mn  Mn5  1  0.833  0.167  0.500  1.0
  Mn  Mn6  1  0.159  0.841  0.500  1.0
  Mn  Mn7  1  0.340  0.660  0.000  1.0
  Fe  Fe8  1  0.501  0.499  0.500  1.0
  Fe  Fe9  1  0.998  0.002  0.000  1.0
  O  O10  1  0.155  0.164  0.597  1.0
  O  O11  1  0.345  0.335  0.096  1.0
  O  O12  1  0.665  0.655  0.904  1.0
  O  O13  1  0.836  0.845  0.403  1.0
  O  O14  1  0.004  0.652  0.102  1.0
  O  O15  1  0.960  0.315  0.889  1.0
  O  O16  1  0.153  0.503  0.399  1.0
  O  O17  1  0.497  0.847  0.601  1.0
  O  O18  1  0.348  0.996  0.898  1.0
  O  O19  1  0.540  0.184  0.389  1.0
  O  O20  1  0.816  0.460  0.611  1.0
  O  O21  1  0.685  0.040  0.111  1.0
[/CIF]
.
The structure described by Li2Mn2FeO6 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-75°. In the second Li site, Li(2) is bonded in a distorted see-saw-like geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Fe(1)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share edges with three equivalent Mn(2)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(2)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(4)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Fe(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(4), and one Fe(2) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(2), one Mn(3), and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OLi2Mn2Fe trigonal bipyramids. is represented by the CIF file [CIF]
data_Li2Mn2FeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.122
_cell_length_b   5.122
_cell_length_c   10.273
_cell_angle_alpha   90.006
_cell_angle_beta   90.006
_cell_angle_gamma   118.803
_symmetry_Int_Tables_number   1
_cell_volume   236.173
_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  0.128  0.630  0.750  1.0
  Li  Li1  1  0.370  0.872  0.250  1.0
  Li  Li2  1  0.639  0.140  0.750  1.0
  Li  Li3  1  0.860  0.361  0.250  1.0
  Mn  Mn4  1  0.667  0.333  0.000  1.0
  Mn  Mn5  1  0.833  0.167  0.500  1.0
  Mn  Mn6  1  0.159  0.841  0.500  1.0
  Mn  Mn7  1  0.340  0.660  0.000  1.0
  Fe  Fe8  1  0.501  0.499  0.500  1.0
  Fe  Fe9  1  0.998  0.002  0.000  1.0
  O  O10  1  0.155  0.164  0.597  1.0
  O  O11  1  0.345  0.335  0.096  1.0
  O  O12  1  0.665  0.655  0.904  1.0
  O  O13  1  0.836  0.845  0.403  1.0
  O  O14  1  0.004  0.652  0.102  1.0
  O  O15  1  0.960  0.315  0.889  1.0
  O  O16  1  0.153  0.503  0.399  1.0
  O  O17  1  0.497  0.847  0.601  1.0
  O  O18  1  0.348  0.996  0.898  1.0
  O  O19  1  0.540  0.184  0.389  1.0
  O  O20  1  0.816  0.460  0.611  1.0
  O  O21  1  0.685  0.040  0.111  1.0
[/CIF]
.