The material structure described by Li6Fe7O15 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms 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 Fe(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(5), and three equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(6), and three equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eight inequivalent O sites. In the first O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra, corners with three equivalent O(6)Li3Fe3 octahedra,  a cornercorner with one O(4)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li3Fe2 square pyramids, and edges with three equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(7) is bonded to one Li(1), one Li(2), and three equivalent Fe(3) atoms to form OLi2Fe3 square pyramids that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(4)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, edges with three equivalent O(6)Li3Fe3 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(8) is bonded in a square co-planar geometry to two equivalent Li(2) and two equivalent Fe(4) atoms. In the fourth O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid, edges with three equivalent O(4)Li2Fe3 square pyramids, and edges with three equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-16°. In the fifth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the sixth O site, O(3) is bonded to one Li(2), two equivalent Li(3), and two equivalent Fe(2) atoms to form OLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid, corners with two equivalent O(4)Li2Fe3 square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with four equivalent O(5)Li3Fe3 octahedra, and  an edgeedge with one O(3)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles are 1°. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), and three equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid, corners with two equivalent O(4)Li2Fe3 square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids, edges with three equivalent O(5)Li3Fe3 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(4)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the eighth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe3 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(6)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with three equivalent O(4)Li2Fe3 square pyramids, and edges with four equivalent O(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. is represented by the CIF file [CIF]
data_Li6Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.949
_cell_length_b   7.949
_cell_length_c   9.006
_cell_angle_alpha   78.630
_cell_angle_beta   78.630
_cell_angle_gamma   28.741
_symmetry_Int_Tables_number   1
_cell_volume   267.904
_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  0.798  0.798  0.733  1.0
  Li  Li1  1  0.403  0.403  0.866  1.0
  Li  Li2  1  0.403  0.403  0.525  1.0
  Li  Li3  1  0.597  0.597  0.475  1.0
  Li  Li4  1  0.202  0.202  0.267  1.0
  Li  Li5  1  0.597  0.597  0.134  1.0
  Fe  Fe6  1  0.193  0.193  0.607  1.0
  Fe  Fe7  1  0.997  0.997  0.670  1.0
  Fe  Fe8  1  0.807  0.807  0.393  1.0
  Fe  Fe9  1  0.003  0.003  0.330  1.0
  Fe  Fe10  1  0.806  0.806  0.069  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Fe  Fe12  1  0.194  0.194  0.931  1.0
  O  O13  1  0.280  0.280  0.738  1.0
  O  O14  1  0.096  0.096  0.800  1.0
  O  O15  1  0.488  0.488  0.665  1.0
  O  O16  1  0.708  0.708  0.579  1.0
  O  O17  1  0.292  0.292  0.421  1.0
  O  O18  1  0.095  0.095  0.484  1.0
  O  O19  1  0.905  0.905  0.516  1.0
  O  O20  1  0.720  0.720  0.262  1.0
  O  O21  1  0.512  0.512  0.335  1.0
  O  O22  1  0.904  0.904  0.200  1.0
  O  O23  1  0.094  0.094  0.124  1.0
  O  O24  1  0.293  0.293  0.050  1.0
  O  O25  1  0.707  0.707  0.950  1.0
  O  O26  1  0.500  0.500  0.000  1.0
  O  O27  1  0.906  0.906  0.876  1.0
[/CIF]
.
The material structure described by Li6Fe7O15 crystallizes in the monoclinic C2/m space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(7), one O(8), and two equivalent O(6) atoms 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 Fe(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the third Li site, Li(3) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(5), and three equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(6), and three equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with four equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are eight inequivalent O sites. In the first O site, O(6) is bonded to one Li(1), two equivalent Li(2), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra, corners with three equivalent O(6)Li3Fe3 octahedra,  a cornercorner with one O(4)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(3)Li3Fe2 square pyramids, and edges with three equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(7) is bonded to one Li(1), one Li(2), and three equivalent Fe(3) atoms to form OLi2Fe3 square pyramids that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(4)Li2Fe3 square pyramid,  a cornercorner with one O(3)Li3Fe2 square pyramid, corners with two equivalent O(7)Li2Fe3 square pyramids, edges with three equivalent O(6)Li3Fe3 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(8) is bonded in a square co-planar geometry to two equivalent Li(2) and two equivalent Fe(4) atoms. In the fourth O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(1), and one Fe(3) atom to form distorted OLi4Fe2 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  a cornercorner with one O(3)Li3Fe2 square pyramid, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe2 square pyramid, edges with three equivalent O(4)Li2Fe3 square pyramids, and edges with three equivalent O(7)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles range from 4-16°. In the fifth O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom. In the sixth O site, O(3) is bonded to one Li(2), two equivalent Li(3), and two equivalent Fe(2) atoms to form OLi3Fe2 square pyramids that share  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid, corners with two equivalent O(4)Li2Fe3 square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with four equivalent O(5)Li3Fe3 octahedra, and  an edgeedge with one O(3)Li3Fe2 square pyramid. The corner-sharing octahedral tilt angles are 1°. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), and three equivalent Fe(1) atoms to form OLi2Fe3 square pyramids that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid, corners with two equivalent O(4)Li2Fe3 square pyramids, corners with two equivalent O(3)Li3Fe2 square pyramids, edges with three equivalent O(5)Li3Fe3 octahedra, edges with three equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(4)Li2Fe3 square pyramids. The corner-sharing octahedral tilt angles are 6°. In the eighth O site, O(5) is bonded to one Li(1), two equivalent Li(3), one Fe(1), and two equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe3 octahedra,  a cornercorner with one O(7)Li2Fe3 square pyramid,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(6)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with three equivalent O(4)Li2Fe3 square pyramids, and edges with four equivalent O(3)Li3Fe2 square pyramids. The corner-sharing octahedral tilt angles range from 4-6°. is represented by the CIF file [CIF]
data_Li6Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.949
_cell_length_b   7.949
_cell_length_c   9.006
_cell_angle_alpha   78.630
_cell_angle_beta   78.630
_cell_angle_gamma   28.741
_symmetry_Int_Tables_number   1
_cell_volume   267.904
_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  0.798  0.798  0.733  1.0
  Li  Li1  1  0.403  0.403  0.866  1.0
  Li  Li2  1  0.403  0.403  0.525  1.0
  Li  Li3  1  0.597  0.597  0.475  1.0
  Li  Li4  1  0.202  0.202  0.267  1.0
  Li  Li5  1  0.597  0.597  0.134  1.0
  Fe  Fe6  1  0.193  0.193  0.607  1.0
  Fe  Fe7  1  0.997  0.997  0.670  1.0
  Fe  Fe8  1  0.807  0.807  0.393  1.0
  Fe  Fe9  1  0.003  0.003  0.330  1.0
  Fe  Fe10  1  0.806  0.806  0.069  1.0
  Fe  Fe11  1  0.000  0.000  0.000  1.0
  Fe  Fe12  1  0.194  0.194  0.931  1.0
  O  O13  1  0.280  0.280  0.738  1.0
  O  O14  1  0.096  0.096  0.800  1.0
  O  O15  1  0.488  0.488  0.665  1.0
  O  O16  1  0.708  0.708  0.579  1.0
  O  O17  1  0.292  0.292  0.421  1.0
  O  O18  1  0.095  0.095  0.484  1.0
  O  O19  1  0.905  0.905  0.516  1.0
  O  O20  1  0.720  0.720  0.262  1.0
  O  O21  1  0.512  0.512  0.335  1.0
  O  O22  1  0.904  0.904  0.200  1.0
  O  O23  1  0.094  0.094  0.124  1.0
  O  O24  1  0.293  0.293  0.050  1.0
  O  O25  1  0.707  0.707  0.950  1.0
  O  O26  1  0.500  0.500  0.000  1.0
  O  O27  1  0.906  0.906  0.876  1.0
[/CIF]
.