The material described by Li6Mn(FeO3)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the third Li site, Li(3) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the fifth Li site, Li(5) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the sixth Li site, Li(6) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, edges with two equivalent Li(5)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(6)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(6)O4 tetrahedra, and edges with three equivalent Li(4)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), one Mn(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(5), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(6), two equivalent Mn(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to two equivalent Li(3), two equivalent Li(5), and three equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Li(4), two equivalent Li(6), and three equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Li6Mn(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.297
_cell_length_b   6.072
_cell_length_c   7.700
_cell_angle_alpha   107.420
_cell_angle_beta   90.068
_cell_angle_gamma   105.716
_symmetry_Int_Tables_number   1
_cell_volume   141.003
_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
  Fe  Fe0  1  0.353  0.707  0.720  1.0
  Fe  Fe1  1  0.017  0.032  0.054  1.0
  Li  Li2  1  0.006  0.011  0.396  1.0
  Li  Li3  1  0.364  0.728  0.378  1.0
  Li  Li4  1  0.029  0.061  0.712  1.0
  Li  Li5  1  0.340  0.678  0.062  1.0
  Li  Li6  1  0.674  0.350  0.733  1.0
  Li  Li7  1  0.695  0.389  0.041  1.0
  Mn  Mn8  1  0.685  0.370  0.387  1.0
  O  O9  1  0.492  0.986  0.252  1.0
  O  O10  1  0.876  0.753  0.522  1.0
  O  O11  1  0.164  0.330  0.589  1.0
  O  O12  1  0.205  0.408  0.184  1.0
  O  O13  1  0.831  0.661  0.921  1.0
  O  O14  1  0.540  0.079  0.853  1.0
[/CIF]
.
The material described by Li6Mn(FeO3)2 crystallizes in the triclinic P-1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the second Li site, Li(2) is bonded to one O(1), one O(4), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the third Li site, Li(3) is bonded to one O(2), one O(3), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, edges with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the fourth Li site, Li(4) is bonded to one O(1), one O(4), and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-57°. In the fifth Li site, Li(5) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the sixth Li site, Li(6) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form LiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-56°. Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(5) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, edges with two equivalent Li(5)O4 tetrahedra, and edges with three equivalent Li(3)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(6) atoms to form distorted FeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with four equivalent Li(6)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, edges with two equivalent Li(6)O4 tetrahedra, and edges with three equivalent Li(4)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), one Mn(1), and two equivalent Fe(2) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(2), one Mn(1), and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(3), two equivalent Li(5), two equivalent Mn(1), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(6), two equivalent Mn(1), and one Fe(2) atom. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to two equivalent Li(3), two equivalent Li(5), and three equivalent Fe(1) atoms. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Li(4), two equivalent Li(6), and three equivalent Fe(2) atoms. is represented by the CIF card [CIF]
data_Li6Mn(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.297
_cell_length_b   6.072
_cell_length_c   7.700
_cell_angle_alpha   107.420
_cell_angle_beta   90.068
_cell_angle_gamma   105.716
_symmetry_Int_Tables_number   1
_cell_volume   141.003
_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
  Fe  Fe0  1  0.353  0.707  0.720  1.0
  Fe  Fe1  1  0.017  0.032  0.054  1.0
  Li  Li2  1  0.006  0.011  0.396  1.0
  Li  Li3  1  0.364  0.728  0.378  1.0
  Li  Li4  1  0.029  0.061  0.712  1.0
  Li  Li5  1  0.340  0.678  0.062  1.0
  Li  Li6  1  0.674  0.350  0.733  1.0
  Li  Li7  1  0.695  0.389  0.041  1.0
  Mn  Mn8  1  0.685  0.370  0.387  1.0
  O  O9  1  0.492  0.986  0.252  1.0
  O  O10  1  0.876  0.753  0.522  1.0
  O  O11  1  0.164  0.330  0.589  1.0
  O  O12  1  0.205  0.408  0.184  1.0
  O  O13  1  0.831  0.661  0.921  1.0
  O  O14  1  0.540  0.079  0.853  1.0
[/CIF]
.