The material described by Li6Mn(FeO3)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(2)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 13-57°. In the second Li site, Li(2) is bonded to one O(4), one O(6), 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(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mn(1)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 16-55°. In the third Li site, Li(3) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-58°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(4) 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(3)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the fifth Li site, Li(5) is bonded to one O(3), one O(5), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the sixth Li site, Li(6) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-57°. In the seventh Li site, Li(7) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the eighth Li site, Li(8) is bonded to one O(2), one O(8), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(12)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the ninth Li site, Li(9) is bonded to one O(11), one O(9), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-58°. In the eleventh Li site, Li(11) is bonded to one O(10), one O(12), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the twelfth Li site, Li(12) is bonded to one O(11), one O(9), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(10)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(11)O4 tetrahedra, corners with three equivalent Li(2)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(4)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, edges with two equivalent Li(10)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(8), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, edges with two equivalent Li(12)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(12)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(5)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(1), one Mn(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(2), one Mn(1), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(2), and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(4), one Mn(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(9), two equivalent Mn(2), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(10), two equivalent Mn(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(11), two equivalent Mn(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(12), two equivalent Mn(1), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(12), one Li(9), two equivalent Li(8), one Fe(3), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), two equivalent Li(7), one Fe(1), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(12), one Li(9), two equivalent Li(5), one Fe(4), and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), two equivalent Li(6), one Fe(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.228
_cell_length_b   6.152
_cell_length_c   7.659
_cell_angle_alpha   105.754
_cell_angle_beta   91.388
_cell_angle_gamma   105.072
_symmetry_Int_Tables_number   1
_cell_volume   140.595
_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  0.982  0.965  0.946  1.0
  Fe  Fe1  1  0.646  0.295  0.279  1.0
  Li  Li2  1  0.996  0.988  0.603  1.0
  Li  Li3  1  0.637  0.274  0.623  1.0
  Li  Li4  1  0.968  0.940  0.288  1.0
  Li  Li5  1  0.662  0.320  0.938  1.0
  Li  Li6  1  0.319  0.651  0.268  1.0
  Li  Li7  1  0.311  0.610  0.959  1.0
  Mn  Mn8  1  0.317  0.631  0.614  1.0
  O  O9  1  0.521  0.017  0.754  1.0
  O  O10  1  0.111  0.243  0.472  1.0
  O  O11  1  0.838  0.677  0.416  1.0
  O  O12  1  0.791  0.583  0.810  1.0
  O  O13  1  0.183  0.346  0.086  1.0
  O  O14  1  0.447  0.917  0.140  1.0
[/CIF]
.
The material described by Li6Mn(FeO3)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(2)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 13-57°. In the second Li site, Li(2) is bonded to one O(4), one O(6), 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(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mn(1)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 16-55°. In the third Li site, Li(3) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-58°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(4) 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(3)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the fifth Li site, Li(5) is bonded to one O(3), one O(5), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the sixth Li site, Li(6) is bonded to one O(4), one O(6), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-57°. In the seventh Li site, Li(7) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the eighth Li site, Li(8) is bonded to one O(2), one O(8), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(12)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-56°. In the ninth Li site, Li(9) is bonded to one O(11), one O(9), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-58°. In the eleventh Li site, Li(11) is bonded to one O(10), one O(12), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-55°. In the twelfth Li site, Li(12) is bonded to one O(11), one O(9), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with three equivalent Fe(4)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with three equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, corners with three equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(7)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(10), one O(7), two equivalent O(1), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with three equivalent Li(10)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(12), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with three equivalent Li(11)O4 tetrahedra, corners with three equivalent Li(2)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(4)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, edges with two equivalent Li(10)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(8), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, edges with two equivalent Li(12)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(12)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(5)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(1), one Mn(2), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(2), one Mn(1), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(3), one Mn(2), and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(4), one Mn(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(9), two equivalent Mn(2), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(10), two equivalent Mn(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(11), two equivalent Mn(2), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(12), two equivalent Mn(1), and one Fe(3) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(12), one Li(9), two equivalent Li(8), one Fe(3), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), two equivalent Li(7), one Fe(1), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(12), one Li(9), two equivalent Li(5), one Fe(4), and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(11), two equivalent Li(6), one Fe(2), and two equivalent Fe(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li6Mn(FeO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.228
_cell_length_b   6.152
_cell_length_c   7.659
_cell_angle_alpha   105.754
_cell_angle_beta   91.388
_cell_angle_gamma   105.072
_symmetry_Int_Tables_number   1
_cell_volume   140.595
_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  0.982  0.965  0.946  1.0
  Fe  Fe1  1  0.646  0.295  0.279  1.0
  Li  Li2  1  0.996  0.988  0.603  1.0
  Li  Li3  1  0.637  0.274  0.623  1.0
  Li  Li4  1  0.968  0.940  0.288  1.0
  Li  Li5  1  0.662  0.320  0.938  1.0
  Li  Li6  1  0.319  0.651  0.268  1.0
  Li  Li7  1  0.311  0.610  0.959  1.0
  Mn  Mn8  1  0.317  0.631  0.614  1.0
  O  O9  1  0.521  0.017  0.754  1.0
  O  O10  1  0.111  0.243  0.472  1.0
  O  O11  1  0.838  0.677  0.416  1.0
  O  O12  1  0.791  0.583  0.810  1.0
  O  O13  1  0.183  0.346  0.086  1.0
  O  O14  1  0.447  0.917  0.140  1.0
[/CIF]
.