The crystal structure described by Li7Fe5O12 is Caswellsilverite-like structured and crystallizes in the monoclinic C2 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), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 4-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 3-10°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 3-7°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 4-6°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(2)Li3Fe3 octahedra, and edges with four equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(1)Li4Fe2 octahedra, and edges with four equivalent O(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra, and edges with four equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(2)Li3Fe3 octahedra, and edges with four equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra, edges with four equivalent O(1)Li4Fe2 octahedra, and edges with four equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li7Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.132
_cell_length_c   9.891
_cell_angle_alpha   85.068
_cell_angle_beta   85.068
_cell_angle_gamma   119.972
_symmetry_Int_Tables_number   1
_cell_volume   222.271
_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  0.178  0.351  0.744  1.0
  Li  Li1  1  0.649  0.822  0.256  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.993  0.509  0.254  1.0
  Li  Li4  1  0.491  0.007  0.746  1.0
  Li  Li5  1  0.829  0.660  0.748  1.0
  Li  Li6  1  0.340  0.171  0.252  1.0
  Fe  Fe7  1  0.414  0.586  0.000  1.0
  Fe  Fe8  1  0.748  0.252  0.000  1.0
  Fe  Fe9  1  0.080  0.920  0.000  1.0
  Fe  Fe10  1  0.917  0.083  0.500  1.0
  Fe  Fe11  1  0.584  0.416  0.500  1.0
  O  O12  1  0.563  0.695  0.612  1.0
  O  O13  1  0.305  0.437  0.388  1.0
  O  O14  1  0.785  0.958  0.884  1.0
  O  O15  1  0.042  0.215  0.116  1.0
  O  O16  1  0.120  0.626  0.882  1.0
  O  O17  1  0.637  0.153  0.387  1.0
  O  O18  1  0.847  0.363  0.613  1.0
  O  O19  1  0.374  0.880  0.118  1.0
  O  O20  1  0.711  0.548  0.114  1.0
  O  O21  1  0.920  0.769  0.388  1.0
  O  O22  1  0.452  0.289  0.886  1.0
  O  O23  1  0.231  0.080  0.612  1.0
[/CIF]
.
The crystal structure described by Li7Fe5O12 is Caswellsilverite-like structured and crystallizes in the monoclinic C2 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), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 4-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(4)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra,  an edgeedge with one Fe(5)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 3-10°. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Fe(2)O6 octahedra, and edges with three equivalent Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the second Fe site, Fe(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 3-7°. In the third Fe site, Fe(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 4-6°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. There are six inequivalent O sites. In the first O site, O(5) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(2)Li3Fe3 octahedra, and edges with four equivalent O(3)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(1)Li4Fe2 octahedra, and edges with four equivalent O(4)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the third O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra, edges with four equivalent O(4)Li4Fe2 octahedra, and edges with four equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth O site, O(2) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(3)Li3Fe3 octahedra, and edges with four equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), one Fe(1), one Fe(2), and one Fe(3) atom to form OLi3Fe3 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(1)Li4Fe2 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra,  an edgeedge with one O(6)Li4Fe2 octahedra, edges with four equivalent O(2)Li3Fe3 octahedra, and edges with four equivalent O(5)Li3Fe3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Fe(4), and one Fe(5) atom to form OLi4Fe2 octahedra that share  a cornercorner with one O(2)Li3Fe3 octahedra,  a cornercorner with one O(3)Li3Fe3 octahedra,  a cornercorner with one O(5)Li3Fe3 octahedra,  a cornercorner with one O(1)Li4Fe2 octahedra,  a cornercorner with one O(4)Li4Fe2 octahedra,  a cornercorner with one O(6)Li4Fe2 octahedra,  an edgeedge with one O(2)Li3Fe3 octahedra,  an edgeedge with one O(3)Li3Fe3 octahedra,  an edgeedge with one O(5)Li3Fe3 octahedra,  an edgeedge with one O(4)Li4Fe2 octahedra, edges with four equivalent O(1)Li4Fe2 octahedra, and edges with four equivalent O(6)Li4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the CIF file [CIF]
data_Li7Fe5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.132
_cell_length_c   9.891
_cell_angle_alpha   85.068
_cell_angle_beta   85.068
_cell_angle_gamma   119.972
_symmetry_Int_Tables_number   1
_cell_volume   222.271
_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  0.178  0.351  0.744  1.0
  Li  Li1  1  0.649  0.822  0.256  1.0
  Li  Li2  1  0.250  0.750  0.500  1.0
  Li  Li3  1  0.993  0.509  0.254  1.0
  Li  Li4  1  0.491  0.007  0.746  1.0
  Li  Li5  1  0.829  0.660  0.748  1.0
  Li  Li6  1  0.340  0.171  0.252  1.0
  Fe  Fe7  1  0.414  0.586  0.000  1.0
  Fe  Fe8  1  0.748  0.252  0.000  1.0
  Fe  Fe9  1  0.080  0.920  0.000  1.0
  Fe  Fe10  1  0.917  0.083  0.500  1.0
  Fe  Fe11  1  0.584  0.416  0.500  1.0
  O  O12  1  0.563  0.695  0.612  1.0
  O  O13  1  0.305  0.437  0.388  1.0
  O  O14  1  0.785  0.958  0.884  1.0
  O  O15  1  0.042  0.215  0.116  1.0
  O  O16  1  0.120  0.626  0.882  1.0
  O  O17  1  0.637  0.153  0.387  1.0
  O  O18  1  0.847  0.363  0.613  1.0
  O  O19  1  0.374  0.880  0.118  1.0
  O  O20  1  0.711  0.548  0.114  1.0
  O  O21  1  0.920  0.769  0.388  1.0
  O  O22  1  0.452  0.289  0.886  1.0
  O  O23  1  0.231  0.080  0.612  1.0
[/CIF]
.