The structure described by Li4Mn3(FeO5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Li site, Li(2) 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 LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(10)Li2Mn3Fe octahedra, corners with two equivalent O(6)Li4MnFe octahedra,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(3)Li3Fe2 square pyramids, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, and edges with two equivalent O(7)Li2Mn2Fe square pyramids. The corner-sharing octahedral tilt angles range from 5-7°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(4)Li3Mn2Fe octahedra, corners with two equivalent O(8)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(1)LiMn3Fe square pyramids, corners with two equivalent O(9)LiMn3Fe square pyramids,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(9)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 7-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(2) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids, corners with two equivalent O(1)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid, and  an edgeedge with one O(5)Li3MnFe square pyramid. The corner-sharing octahedral tilt angles range from 9-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(3), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid, and edges with two equivalent O(9)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 12-18°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), and one Fe(1) atom to form OLi3MnFe square pyramids that share  a cornercorner with one O(6)Li4MnFe octahedra, corners with two equivalent O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(1)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(2)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 5-16°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(3), and one Fe(2) atom to form OLi4MnFe octahedra that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(1)LiMn3Fe square pyramids, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, and edges with two equivalent O(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 12-16°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(2), and one Fe(1) atom to form OLi2Mn2Fe square pyramids that share  a cornercorner with one O(8)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids, corners with two equivalent O(9)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4MnFe octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid, and edges with two equivalent O(1)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 4-10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, edges with two equivalent O(3)Li3Fe2 square pyramids, and edges with two equivalent O(5)Li3MnFe square pyramids. The corner-sharing octahedral tilt angles range from 5-16°. In the ninth O site, O(9) is bonded to one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(1)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(2)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 8-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom to form OLi2Mn3Fe octahedra that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, edges with two equivalent O(2)LiMn3Fe square pyramids, and edges with two equivalent O(9)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. is represented by the CIF card [CIF]
data_Li4Mn3(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.221
_cell_length_c   7.857
_cell_angle_alpha   71.359
_cell_angle_beta   71.439
_cell_angle_gamma   81.700
_symmetry_Int_Tables_number   1
_cell_volume   189.481
_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  0.508  0.774  0.434  1.0
  Li  Li1  1  0.972  0.497  0.512  1.0
  Li  Li2  1  0.499  0.398  0.221  1.0
  Li  Li3  1  0.490  0.205  0.594  1.0
  Mn  Mn4  1  0.504  0.003  0.995  1.0
  Mn  Mn5  1  0.996  0.310  0.896  1.0
  Mn  Mn6  1  0.010  0.697  0.101  1.0
  Fe  Fe7  1  0.008  0.888  0.684  1.0
  Fe  Fe8  1  0.998  0.112  0.310  1.0
  O  O9  1  0.229  0.975  0.863  1.0
  O  O10  1  0.790  0.645  0.951  1.0
  O  O11  1  0.773  0.877  0.534  1.0
  O  O12  1  0.253  0.777  0.221  1.0
  O  O13  1  0.205  0.537  0.667  1.0
  O  O14  1  0.779  0.461  0.333  1.0
  O  O15  1  0.768  0.206  0.772  1.0
  O  O16  1  0.243  0.130  0.454  1.0
  O  O17  1  0.218  0.329  0.051  1.0
  O  O18  1  0.751  0.074  0.128  1.0
[/CIF]
.
The structure described by Li4Mn3(FeO5)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the second Li site, Li(2) 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 LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the third Li site, Li(3) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the second Fe site, Fe(2) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(10)Li2Mn3Fe octahedra, corners with two equivalent O(6)Li4MnFe octahedra,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(3)Li3Fe2 square pyramids, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, and edges with two equivalent O(7)Li2Mn2Fe square pyramids. The corner-sharing octahedral tilt angles range from 5-7°. In the second O site, O(2) is bonded to one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(1) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(4)Li3Mn2Fe octahedra, corners with two equivalent O(8)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(1)LiMn3Fe square pyramids, corners with two equivalent O(9)LiMn3Fe square pyramids,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(9)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 7-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(4), one Fe(1), and one Fe(2) atom to form OLi3Fe2 square pyramids that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids, corners with two equivalent O(1)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(4)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid, and  an edgeedge with one O(5)Li3MnFe square pyramid. The corner-sharing octahedral tilt angles range from 9-20°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), one Mn(3), and one Fe(2) atom to form OLi3Mn2Fe octahedra that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid, and edges with two equivalent O(9)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 12-18°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), and one Fe(1) atom to form OLi3MnFe square pyramids that share  a cornercorner with one O(6)Li4MnFe octahedra, corners with two equivalent O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(1)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids,  an edgeedge with one O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(2)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 5-16°. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Mn(3), and one Fe(2) atom to form OLi4MnFe octahedra that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(1)LiMn3Fe square pyramids, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(8)Li4Fe2 octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, and edges with two equivalent O(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 12-16°. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(2), and one Fe(1) atom to form OLi2Mn2Fe square pyramids that share  a cornercorner with one O(8)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(2)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids, corners with two equivalent O(9)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4MnFe octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(5)Li3MnFe square pyramid,  an edgeedge with one O(2)LiMn3Fe square pyramid, and edges with two equivalent O(1)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 4-10°. In the eighth O site, O(8) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(7)Li2Mn2Fe square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid,  an edgeedge with one O(9)LiMn3Fe square pyramid, edges with two equivalent O(3)Li3Fe2 square pyramids, and edges with two equivalent O(5)Li3MnFe square pyramids. The corner-sharing octahedral tilt angles range from 5-16°. In the ninth O site, O(9) is bonded to one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom to form OLiMn3Fe square pyramids that share  a cornercorner with one O(10)Li2Mn3Fe octahedra,  a cornercorner with one O(6)Li4MnFe octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid,  a cornercorner with one O(5)Li3MnFe square pyramid,  a cornercorner with one O(1)LiMn3Fe square pyramid, corners with two equivalent O(7)Li2Mn2Fe square pyramids, corners with two equivalent O(2)LiMn3Fe square pyramids,  an edgeedge with one O(8)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4MnFe octahedra, edges with two equivalent O(10)Li2Mn3Fe octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra,  an edgeedge with one O(1)LiMn3Fe square pyramid, and  an edgeedge with one O(2)LiMn3Fe square pyramid. The corner-sharing octahedral tilt angles range from 8-9°. In the tenth O site, O(10) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), one Mn(3), and one Fe(2) atom to form OLi2Mn3Fe octahedra that share  a cornercorner with one O(4)Li3Mn2Fe octahedra,  a cornercorner with one O(8)Li4Fe2 octahedra,  a cornercorner with one O(1)LiMn3Fe square pyramid,  a cornercorner with one O(9)LiMn3Fe square pyramid, corners with two equivalent O(5)Li3MnFe square pyramids,  an edgeedge with one O(8)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Mn2Fe octahedra, edges with two equivalent O(6)Li4MnFe octahedra,  an edgeedge with one O(7)Li2Mn2Fe square pyramid,  an edgeedge with one O(3)Li3Fe2 square pyramid,  an edgeedge with one O(1)LiMn3Fe square pyramid, edges with two equivalent O(2)LiMn3Fe square pyramids, and edges with two equivalent O(9)LiMn3Fe square pyramids. The corner-sharing octahedral tilt angles range from 5-18°. is represented by the CIF card [CIF]
data_Li4Mn3(FeO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.148
_cell_length_b   5.221
_cell_length_c   7.857
_cell_angle_alpha   71.359
_cell_angle_beta   71.439
_cell_angle_gamma   81.700
_symmetry_Int_Tables_number   1
_cell_volume   189.481
_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  0.508  0.774  0.434  1.0
  Li  Li1  1  0.972  0.497  0.512  1.0
  Li  Li2  1  0.499  0.398  0.221  1.0
  Li  Li3  1  0.490  0.205  0.594  1.0
  Mn  Mn4  1  0.504  0.003  0.995  1.0
  Mn  Mn5  1  0.996  0.310  0.896  1.0
  Mn  Mn6  1  0.010  0.697  0.101  1.0
  Fe  Fe7  1  0.008  0.888  0.684  1.0
  Fe  Fe8  1  0.998  0.112  0.310  1.0
  O  O9  1  0.229  0.975  0.863  1.0
  O  O10  1  0.790  0.645  0.951  1.0
  O  O11  1  0.773  0.877  0.534  1.0
  O  O12  1  0.253  0.777  0.221  1.0
  O  O13  1  0.205  0.537  0.667  1.0
  O  O14  1  0.779  0.461  0.333  1.0
  O  O15  1  0.768  0.206  0.772  1.0
  O  O16  1  0.243  0.130  0.454  1.0
  O  O17  1  0.218  0.329  0.051  1.0
  O  O18  1  0.751  0.074  0.128  1.0
[/CIF]
.