The material structure described by Li8Fe7O15 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Li site, Li(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) 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 Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) 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(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(7), one O(8), and three equivalent O(5) atoms to form FeO6 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,  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 Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(8), and three equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  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 Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)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(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)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 0-8°. 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(4)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, edges with four equivalent Li(1)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(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Fe(4) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(5)Li3Fe3 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with four equivalent O(8)Li2Fe4 octahedra, and edges with four equivalent O(6)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(7)Li3Fe3 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with three equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and three equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with three equivalent O(6)Li3Fe3 octahedra, and edges with three equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with three equivalent O(7)Li3Fe3 octahedra, and edges with three equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(6) is bonded to one Li(4), two equivalent Li(1), 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(7)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with three equivalent O(6)Li3Fe3 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(7) is bonded to one Li(4), two equivalent Li(3), one Fe(1), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(7)Li3Fe3 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(6)Li3Fe3 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(8) is bonded to two equivalent Li(2), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2Fe4 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra, corners with three equivalent O(8)Li2Fe4 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(3) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with four equivalent O(7)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Li8Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   7.943
_cell_length_c   9.011
_cell_angle_alpha   78.881
_cell_angle_beta   78.881
_cell_angle_gamma   29.536
_symmetry_Int_Tables_number   1
_cell_volume   274.619
_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  0.401  0.401  0.863  1.0
  Li  Li1  1  0.593  0.593  0.801  1.0
  Li  Li2  1  0.407  0.407  0.199  1.0
  Li  Li3  1  0.402  0.402  0.535  1.0
  Li  Li4  1  0.598  0.598  0.465  1.0
  Li  Li5  1  0.800  0.800  0.733  1.0
  Li  Li6  1  0.599  0.599  0.137  1.0
  Li  Li7  1  0.200  0.200  0.267  1.0
  Fe  Fe8  1  0.801  0.801  0.398  1.0
  Fe  Fe9  1  0.800  0.800  0.068  1.0
  Fe  Fe10  1  0.994  0.994  0.666  1.0
  Fe  Fe11  1  0.006  0.006  0.334  1.0
  Fe  Fe12  1  0.199  0.199  0.602  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.200  0.200  0.932  1.0
  O  O15  1  0.496  0.496  0.669  1.0
  O  O16  1  0.504  0.504  0.331  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.715  0.715  0.262  1.0
  O  O19  1  0.704  0.704  0.943  1.0
  O  O20  1  0.704  0.704  0.587  1.0
  O  O21  1  0.905  0.905  0.873  1.0
  O  O22  1  0.906  0.906  0.522  1.0
  O  O23  1  0.902  0.902  0.200  1.0
  O  O24  1  0.094  0.094  0.478  1.0
  O  O25  1  0.285  0.285  0.738  1.0
  O  O26  1  0.098  0.098  0.800  1.0
  O  O27  1  0.095  0.095  0.127  1.0
  O  O28  1  0.296  0.296  0.413  1.0
  O  O29  1  0.296  0.296  0.057  1.0
[/CIF]
.
The material structure described by Li8Fe7O15 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Li site, Li(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) 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 Li(4)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with four equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth Li site, Li(4) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(3) 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(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(7), one O(8), and three equivalent O(5) atoms to form FeO6 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,  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 Li(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with three equivalent Li(3)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second Fe site, Fe(2) is bonded to one O(3), one O(6), one O(8), and three equivalent O(4) atoms to form FeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  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 Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the third Fe site, Fe(3) is bonded to one O(6), one O(8), two equivalent O(1), and two equivalent O(7) atoms to form FeO6 octahedra that share  a cornercorner with one Li(4)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(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Li(1)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 0-8°. 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(4)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, edges with four equivalent Li(1)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(2) is bonded to two equivalent Li(1), two equivalent Li(2), and two equivalent Fe(4) atoms to form OLi4Fe2 octahedra that share corners with two equivalent O(5)Li3Fe3 octahedra, corners with two equivalent O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with four equivalent O(8)Li2Fe4 octahedra, and edges with four equivalent O(6)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(4), one Fe(1), and one Fe(2) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra, corners with two equivalent O(3)Li4Fe2 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(7)Li3Fe3 octahedra, edges with three equivalent O(4)Li3Fe3 octahedra, and edges with three equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. In the third O site, O(4) is bonded to one Li(1), one Li(2), one Li(4), and three equivalent Fe(2) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with three equivalent O(6)Li3Fe3 octahedra, and edges with three equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(5) is bonded to one Li(2), one Li(3), one Li(4), and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(2)Li4Fe2 octahedra, corners with two equivalent O(5)Li3Fe3 octahedra,  an edgeedge with one O(4)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with three equivalent O(7)Li3Fe3 octahedra, and edges with three equivalent O(3)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fifth O site, O(6) is bonded to one Li(4), two equivalent Li(1), 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(7)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with three equivalent O(6)Li3Fe3 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, edges with two equivalent O(2)Li4Fe2 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, and edges with three equivalent O(4)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(7) is bonded to one Li(4), two equivalent Li(3), one Fe(1), and two equivalent Fe(3) atoms to form OLi3Fe3 octahedra that share  a cornercorner with one O(8)Li2Fe4 octahedra,  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(6)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(7)Li3Fe3 octahedra,  an edgeedge with one O(8)Li2Fe4 octahedra,  an edgeedge with one O(6)Li3Fe3 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra, edges with two equivalent O(3)Li4Fe2 octahedra, edges with three equivalent O(5)Li3Fe3 octahedra, and edges with four equivalent O(1)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh O site, O(8) is bonded to two equivalent Li(2), one Fe(1), one Fe(2), one Fe(3), and one Fe(4) atom to form OLi2Fe4 octahedra that share  a cornercorner with one O(4)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(7)Li3Fe3 octahedra, corners with three equivalent O(8)Li2Fe4 octahedra,  an edgeedge with one O(7)Li3Fe3 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(4)Li3Fe3 octahedra, edges with two equivalent O(5)Li3Fe3 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, edges with two equivalent O(1)Li4Fe2 octahedra, and edges with two equivalent O(2)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eighth O site, O(1) is bonded to one Li(1), one Li(2), two equivalent Li(3), and two equivalent Fe(3) atoms to form OLi4Fe2 octahedra that share  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(3)Li4Fe2 octahedra, corners with two equivalent O(4)Li3Fe3 octahedra, corners with two equivalent O(1)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(2)Li4Fe2 octahedra,  an edgeedge with one O(3)Li4Fe2 octahedra, edges with two equivalent O(8)Li2Fe4 octahedra, edges with two equivalent O(6)Li3Fe3 octahedra, and edges with four equivalent O(7)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Li8Fe7O15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.943
_cell_length_b   7.943
_cell_length_c   9.011
_cell_angle_alpha   78.881
_cell_angle_beta   78.881
_cell_angle_gamma   29.536
_symmetry_Int_Tables_number   1
_cell_volume   274.619
_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  0.401  0.401  0.863  1.0
  Li  Li1  1  0.593  0.593  0.801  1.0
  Li  Li2  1  0.407  0.407  0.199  1.0
  Li  Li3  1  0.402  0.402  0.535  1.0
  Li  Li4  1  0.598  0.598  0.465  1.0
  Li  Li5  1  0.800  0.800  0.733  1.0
  Li  Li6  1  0.599  0.599  0.137  1.0
  Li  Li7  1  0.200  0.200  0.267  1.0
  Fe  Fe8  1  0.801  0.801  0.398  1.0
  Fe  Fe9  1  0.800  0.800  0.068  1.0
  Fe  Fe10  1  0.994  0.994  0.666  1.0
  Fe  Fe11  1  0.006  0.006  0.334  1.0
  Fe  Fe12  1  0.199  0.199  0.602  1.0
  Fe  Fe13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.200  0.200  0.932  1.0
  O  O15  1  0.496  0.496  0.669  1.0
  O  O16  1  0.504  0.504  0.331  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.715  0.715  0.262  1.0
  O  O19  1  0.704  0.704  0.943  1.0
  O  O20  1  0.704  0.704  0.587  1.0
  O  O21  1  0.905  0.905  0.873  1.0
  O  O22  1  0.906  0.906  0.522  1.0
  O  O23  1  0.902  0.902  0.200  1.0
  O  O24  1  0.094  0.094  0.478  1.0
  O  O25  1  0.285  0.285  0.738  1.0
  O  O26  1  0.098  0.098  0.800  1.0
  O  O27  1  0.095  0.095  0.127  1.0
  O  O28  1  0.296  0.296  0.413  1.0
  O  O29  1  0.296  0.296  0.057  1.0
[/CIF]
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