The material described by Fe7O8 crystallizes in the triclinic P-1 space group. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Fe site, Fe(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 a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh Fe site, Fe(7) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the tenth Fe site, Fe(10) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the eleventh Fe site, Fe(11) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing FeO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), one Fe(5), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(6)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, edges with three equivalent O(3)Fe5 square pyramids, edges with three equivalent O(5)Fe5 square pyramids, and edges with three equivalent O(7)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, edges with three equivalent O(4)Fe5 square pyramids, edges with three equivalent O(6)Fe5 square pyramids, and edges with three equivalent O(8)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Fe(11), one Fe(3), one Fe(5), one Fe(7), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(4)Fe5 square pyramids, corners with three equivalent O(3)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(5)Fe5 square pyramids, and edges with two equivalent O(7)Fe5 square pyramids. In the fourth O site, O(4) is bonded to one Fe(10), one Fe(3), one Fe(4), one Fe(6), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(3)Fe5 square pyramids, corners with three equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(6)Fe5 square pyramids, and edges with two equivalent O(8)Fe5 square pyramids. In the fifth O site, O(5) is bonded to one Fe(11), one Fe(2), one Fe(3), one Fe(5), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(6)Fe5 square pyramids, corners with three equivalent O(5)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(3)Fe5 square pyramids, and edges with two equivalent O(7)Fe5 square pyramids. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(10), one Fe(3), one Fe(4), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(5)Fe5 square pyramids, corners with three equivalent O(6)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(4)Fe5 square pyramids, and edges with two equivalent O(8)Fe5 square pyramids. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(2), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids, corners with three equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(3)Fe5 square pyramids, and edges with two equivalent O(5)Fe5 square pyramids. In the eighth O site, O(8) is bonded to one Fe(1), one Fe(10), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(7)Fe5 square pyramids, corners with three equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(4)Fe5 square pyramids, and edges with two equivalent O(6)Fe5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.163
_cell_length_c   10.732
_cell_angle_alpha   73.788
_cell_angle_beta   73.639
_cell_angle_gamma   60.657
_symmetry_Int_Tables_number   1
_cell_volume   331.916
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.260  0.244  0.748  1.0
  Fe  Fe3  1  0.740  0.756  0.252  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Fe  Fe8  1  0.751  0.258  0.750  1.0
  Fe  Fe9  1  0.249  0.742  0.250  1.0
  Fe  Fe10  1  0.242  0.751  0.752  1.0
  Fe  Fe11  1  0.758  0.249  0.248  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.879  0.855  0.382  1.0
  O  O15  1  0.383  0.354  0.881  1.0
  O  O16  1  0.121  0.145  0.618  1.0
  O  O17  1  0.617  0.646  0.119  1.0
  O  O18  1  0.146  0.614  0.616  1.0
  O  O19  1  0.646  0.120  0.116  1.0
  O  O20  1  0.376  0.841  0.380  1.0
  O  O21  1  0.885  0.344  0.881  1.0
  O  O22  1  0.371  0.373  0.392  1.0
  O  O23  1  0.865  0.879  0.891  1.0
  O  O24  1  0.629  0.627  0.608  1.0
  O  O25  1  0.135  0.121  0.109  1.0
  O  O26  1  0.624  0.159  0.620  1.0
  O  O27  1  0.115  0.656  0.119  1.0
  O  O28  1  0.854  0.386  0.384  1.0
  O  O29  1  0.354  0.880  0.884  1.0
[/CIF]
.
The material described by Fe7O8 crystallizes in the triclinic P-1 space group. There are eleven inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the second Fe site, Fe(2) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the third Fe site, Fe(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 a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the fourth Fe site, Fe(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the fifth Fe site, Fe(5) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the sixth Fe site, Fe(6) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the seventh Fe site, Fe(7) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the eighth Fe site, Fe(8) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the ninth Fe site, Fe(9) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the tenth Fe site, Fe(10) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing FeO6 octahedra. In the eleventh Fe site, Fe(11) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing FeO6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(2), one Fe(3), one Fe(5), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(6)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, edges with three equivalent O(3)Fe5 square pyramids, edges with three equivalent O(5)Fe5 square pyramids, and edges with three equivalent O(7)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with three equivalent O(1)Fe6 octahedra, corners with three equivalent O(2)Fe6 octahedra,  an edgeedge with one O(3)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, edges with three equivalent O(4)Fe5 square pyramids, edges with three equivalent O(6)Fe5 square pyramids, and edges with three equivalent O(8)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Fe(11), one Fe(3), one Fe(5), one Fe(7), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(4)Fe5 square pyramids, corners with three equivalent O(3)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(5)Fe5 square pyramids, and edges with two equivalent O(7)Fe5 square pyramids. In the fourth O site, O(4) is bonded to one Fe(10), one Fe(3), one Fe(4), one Fe(6), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(3)Fe5 square pyramids, corners with three equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(6)Fe5 square pyramids, and edges with two equivalent O(8)Fe5 square pyramids. In the fifth O site, O(5) is bonded to one Fe(11), one Fe(2), one Fe(3), one Fe(5), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(6)Fe5 square pyramids, corners with three equivalent O(5)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(3)Fe5 square pyramids, and edges with two equivalent O(7)Fe5 square pyramids. In the sixth O site, O(6) is bonded to one Fe(1), one Fe(10), one Fe(3), one Fe(4), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with two equivalent O(5)Fe5 square pyramids, corners with three equivalent O(6)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(4)Fe5 square pyramids, and edges with two equivalent O(8)Fe5 square pyramids. In the seventh O site, O(7) is bonded to one Fe(11), one Fe(2), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids, corners with three equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(2)Fe6 octahedra, edges with three equivalent O(1)Fe6 octahedra, edges with two equivalent O(3)Fe5 square pyramids, and edges with two equivalent O(5)Fe5 square pyramids. In the eighth O site, O(8) is bonded to one Fe(1), one Fe(10), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(6)Fe5 square pyramid, corners with two equivalent O(7)Fe5 square pyramids, corners with three equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra, edges with three equivalent O(2)Fe6 octahedra, edges with two equivalent O(4)Fe5 square pyramids, and edges with two equivalent O(6)Fe5 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe7O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   6.163
_cell_length_c   10.732
_cell_angle_alpha   73.788
_cell_angle_beta   73.639
_cell_angle_gamma   60.657
_symmetry_Int_Tables_number   1
_cell_volume   331.916
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Fe  Fe0  1  0.000  0.500  0.000  1.0
  Fe  Fe1  1  0.500  0.000  0.500  1.0
  Fe  Fe2  1  0.260  0.244  0.748  1.0
  Fe  Fe3  1  0.740  0.756  0.252  1.0
  Fe  Fe4  1  0.500  0.500  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.500  1.0
  Fe  Fe6  1  0.500  0.000  0.000  1.0
  Fe  Fe7  1  0.000  0.500  0.500  1.0
  Fe  Fe8  1  0.751  0.258  0.750  1.0
  Fe  Fe9  1  0.249  0.742  0.250  1.0
  Fe  Fe10  1  0.242  0.751  0.752  1.0
  Fe  Fe11  1  0.758  0.249  0.248  1.0
  Fe  Fe12  1  0.000  0.000  0.000  1.0
  Fe  Fe13  1  0.500  0.500  0.500  1.0
  O  O14  1  0.879  0.855  0.382  1.0
  O  O15  1  0.383  0.354  0.881  1.0
  O  O16  1  0.121  0.145  0.618  1.0
  O  O17  1  0.617  0.646  0.119  1.0
  O  O18  1  0.146  0.614  0.616  1.0
  O  O19  1  0.646  0.120  0.116  1.0
  O  O20  1  0.376  0.841  0.380  1.0
  O  O21  1  0.885  0.344  0.881  1.0
  O  O22  1  0.371  0.373  0.392  1.0
  O  O23  1  0.865  0.879  0.891  1.0
  O  O24  1  0.629  0.627  0.608  1.0
  O  O25  1  0.135  0.121  0.109  1.0
  O  O26  1  0.624  0.159  0.620  1.0
  O  O27  1  0.115  0.656  0.119  1.0
  O  O28  1  0.854  0.386  0.384  1.0
  O  O29  1  0.354  0.880  0.884  1.0
[/CIF]
.