The compound described by Fe8O9 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(17), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Fe site, Fe(2) is bonded to one O(1), one O(16), one O(18), one O(4), one O(5), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth Fe site, Fe(5) is bonded to one O(16), one O(18), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(12), one O(15), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the ninth Fe site, Fe(9) is bonded to one O(11), 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 2-11°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the eleventh Fe site, Fe(11) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the twelfth Fe site, Fe(12) is bonded to one O(10), one O(12), one O(13), one O(16), one O(17), and one O(18) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the thirteenth Fe site, Fe(13) is bonded to one O(11), one O(12), one O(13), one O(14), one O(17), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(12), one O(14), one O(15), one O(18), and one O(3) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fifteenth Fe site, Fe(15) is bonded to one O(10), one O(13), one O(14), one O(15), one O(16), and one O(18) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the sixteenth Fe site, Fe(16) is bonded to one O(1), one O(12), one O(15), one O(16), one O(17), and one O(3) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(14), one Fe(16), one Fe(2), one Fe(3), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(15)Fe6 octahedra,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid, corners with two equivalent O(5)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(3)Fe6 octahedra,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), one Fe(5), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe6 octahedra, corners with two equivalent O(11)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Fe(1), one Fe(14), one Fe(16), one Fe(3), one Fe(5), and one Fe(7) atom to form OFe6 octahedra that share  a cornercorner with one O(16)Fe6 octahedra, corners with two equivalent O(12)Fe6 octahedra, corners with two equivalent O(6)Fe6 octahedra,  a cornercorner with one O(2)Fe5 square pyramid,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, and edges with two equivalent O(1)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Fe(5), one Fe(7), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(5)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(18)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(2), one Fe(4), one Fe(7), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(3), one Fe(6), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share  a cornercorner with one O(11)Fe6 octahedra, corners with two equivalent O(15)Fe6 octahedra, corners with two equivalent O(3)Fe6 octahedra,  a cornercorner with one O(7)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(9)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the seventh O site, O(7) is bonded to one Fe(2), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(6)Fe6 octahedra, corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  a cornercorner with one O(9)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid, and  an edgeedge with one O(5)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the eighth O site, O(8) is bonded to one Fe(10), one Fe(11), one Fe(13), one Fe(4), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid, corners with two equivalent O(13)Fe5 square pyramids, corners with two equivalent O(17)Fe5 square pyramids, corners with two equivalent O(5)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. In the ninth O site, O(9) is bonded to one Fe(10), one Fe(3), one Fe(4), one Fe(6), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(12)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids, corners with two equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the tenth O site, O(10) is bonded to one Fe(11), one Fe(12), one Fe(15), one Fe(6), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(11)Fe6 octahedra,  a cornercorner with one O(15)Fe6 octahedra,  a cornercorner with one O(13)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,  a cornercorner with one O(9)Fe5 square pyramid, corners with two equivalent O(18)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid, and  an edgeedge with one O(17)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(13), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share  a cornercorner with one O(6)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid, corners with two equivalent O(14)Fe5 square pyramids, corners with two equivalent O(2)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, and edges with two equivalent O(8)Fe5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the twelfth O site, O(12) is bonded to one Fe(10), one Fe(12), one Fe(13), one Fe(14), one Fe(16), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(3)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(15)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the thirteenth O site, O(13) is bonded to one Fe(10), one Fe(12), one Fe(13), one Fe(15), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(12)Fe6 octahedra, corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(10)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(9)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid, and  an edgeedge with one O(18)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the fourteenth O site, O(14) is bonded to one Fe(1), one Fe(11), one Fe(13), one Fe(14), and one Fe(15) atom to form OFe5 square pyramids that share  a cornercorner with one O(15)Fe6 octahedra, corners with two equivalent O(11)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(18)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-9°. In the fifteenth O site, O(15) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(15), one Fe(16), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(6)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(12)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the sixteenth O site, O(16) is bonded to one Fe(1), one Fe(12), one Fe(15), one Fe(16), one Fe(2), and one Fe(5) atom to form OFe6 octahedra that share  a cornercorner with one O(3)Fe6 octahedra,  a cornercorner with one O(17)Fe5 square pyramid, corners with two equivalent O(13)Fe5 square pyramids, corners with two equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and edges with two equivalent O(18)Fe5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the seventeenth O site, O(17) is bonded to one Fe(1), one Fe(11), one Fe(12), one Fe(13), and one Fe(16) atom to form OFe5 square pyramids that share  a cornercorner with one O(12)Fe6 octahedra,  a cornercorner with one O(16)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(14)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the eighteenth O site, O(18) is bonded to one Fe(12), one Fe(14), one Fe(15), one Fe(2), and one Fe(5) atom to form OFe5 square pyramids that share  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(10)Fe5 square pyramids, corners with two equivalent O(14)Fe5 square pyramids, corners with two equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.191
_cell_length_b   6.835
_cell_length_c   9.262
_cell_angle_alpha   102.961
_cell_angle_beta   90.291
_cell_angle_gamma   103.729
_symmetry_Int_Tables_number   1
_cell_volume   370.383
_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  0.503  0.994  0.998  1.0
  Fe  Fe1  1  0.833  0.328  0.890  1.0
  Fe  Fe2  1  0.166  0.669  0.778  1.0
  Fe  Fe3  1  0.494  0.008  0.664  1.0
  Fe  Fe4  1  0.328  0.329  0.888  1.0
  Fe  Fe5  1  0.659  0.656  0.447  1.0
  Fe  Fe6  1  0.662  0.662  0.775  1.0
  Fe  Fe7  1  0.840  0.338  0.557  1.0
  Fe  Fe8  1  0.000  0.000  0.671  1.0
  Fe  Fe9  1  0.172  0.657  0.445  1.0
  Fe  Fe10  1  0.498  0.004  0.339  1.0
  Fe  Fe11  1  0.838  0.330  0.218  1.0
  Fe  Fe12  1  0.007  0.004  0.335  1.0
  Fe  Fe13  1  0.159  0.681  0.108  1.0
  Fe  Fe14  1  0.327  0.331  0.218  1.0
  Fe  Fe15  1  0.675  0.676  0.109  1.0
  O  O16  1  0.893  0.640  0.938  1.0
  O  O17  1  0.269  0.001  0.819  1.0
  O  O18  1  0.413  0.658  0.943  1.0
  O  O19  1  0.597  0.320  0.733  1.0
  O  O20  1  0.735  0.011  0.824  1.0
  O  O21  1  0.917  0.666  0.609  1.0
  O  O22  1  0.059  0.334  0.737  1.0
  O  O23  1  0.255  0.979  0.494  1.0
  O  O24  1  0.433  0.696  0.617  1.0
  O  O25  1  0.599  0.325  0.371  1.0
  O  O26  1  0.732  0.002  0.500  1.0
  O  O27  1  0.912  0.657  0.281  1.0
  O  O28  1  0.067  0.335  0.372  1.0
  O  O29  1  0.278  0.999  0.179  1.0
  O  O30  1  0.428  0.680  0.277  1.0
  O  O31  1  0.601  0.329  0.057  1.0
  O  O32  1  0.740  0.012  0.189  1.0
  O  O33  1  0.075  0.355  0.063  1.0
[/CIF]
.
The compound described by Fe8O9 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(16), one O(17), one O(2), one O(3), and one O(5) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the second Fe site, Fe(2) is bonded to one O(1), one O(16), one O(18), one O(4), one O(5), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 6-10°. In the third Fe site, Fe(3) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth Fe site, Fe(5) is bonded to one O(16), one O(18), one O(2), one O(3), one O(4), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(12), one O(15), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the seventh Fe site, Fe(7) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the eighth Fe site, Fe(8) is bonded to one O(10), one O(11), one O(13), one O(4), one O(6), and one O(7) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the ninth Fe site, Fe(9) is bonded to one O(11), 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 2-11°. In the tenth Fe site, Fe(10) is bonded to one O(12), one O(13), one O(15), one O(6), one O(8), and one O(9) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the eleventh Fe site, Fe(11) is bonded to one O(10), one O(11), one O(14), one O(15), one O(17), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the twelfth Fe site, Fe(12) is bonded to one O(10), one O(12), one O(13), one O(16), one O(17), and one O(18) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. In the thirteenth Fe site, Fe(13) is bonded to one O(11), one O(12), one O(13), one O(14), one O(17), and one O(8) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the fourteenth Fe site, Fe(14) is bonded to one O(1), one O(12), one O(14), one O(15), one O(18), and one O(3) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fifteenth Fe site, Fe(15) is bonded to one O(10), one O(13), one O(14), one O(15), one O(16), and one O(18) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-15°. In the sixteenth Fe site, Fe(16) is bonded to one O(1), one O(12), one O(15), one O(16), one O(17), and one O(3) atom to form a mixture of corner and edge-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-13°. There are eighteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(14), one Fe(16), one Fe(2), one Fe(3), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(15)Fe6 octahedra,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid, corners with two equivalent O(5)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(3)Fe6 octahedra,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the second O site, O(2) is bonded to one Fe(1), one Fe(3), one Fe(4), one Fe(5), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(3)Fe6 octahedra, corners with two equivalent O(11)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-6°. In the third O site, O(3) is bonded to one Fe(1), one Fe(14), one Fe(16), one Fe(3), one Fe(5), and one Fe(7) atom to form OFe6 octahedra that share  a cornercorner with one O(16)Fe6 octahedra, corners with two equivalent O(12)Fe6 octahedra, corners with two equivalent O(6)Fe6 octahedra,  a cornercorner with one O(2)Fe5 square pyramid,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, and edges with two equivalent O(1)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 1-9°. In the fourth O site, O(4) is bonded to one Fe(2), one Fe(4), one Fe(5), one Fe(7), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(5)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(18)Fe5 square pyramids, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(2), one Fe(4), one Fe(7), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. In the sixth O site, O(6) is bonded to one Fe(10), one Fe(3), one Fe(6), one Fe(7), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share  a cornercorner with one O(11)Fe6 octahedra, corners with two equivalent O(15)Fe6 octahedra, corners with two equivalent O(3)Fe6 octahedra,  a cornercorner with one O(7)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(9)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 1-7°. In the seventh O site, O(7) is bonded to one Fe(2), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(6)Fe6 octahedra, corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  a cornercorner with one O(9)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid, and  an edgeedge with one O(5)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-4°. In the eighth O site, O(8) is bonded to one Fe(10), one Fe(11), one Fe(13), one Fe(4), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(4)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid, corners with two equivalent O(13)Fe5 square pyramids, corners with two equivalent O(17)Fe5 square pyramids, corners with two equivalent O(5)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. In the ninth O site, O(9) is bonded to one Fe(10), one Fe(3), one Fe(4), one Fe(6), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(12)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(7)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids, corners with two equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(6)Fe6 octahedra,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles are 7°. In the tenth O site, O(10) is bonded to one Fe(11), one Fe(12), one Fe(15), one Fe(6), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(11)Fe6 octahedra,  a cornercorner with one O(15)Fe6 octahedra,  a cornercorner with one O(13)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,  a cornercorner with one O(9)Fe5 square pyramid, corners with two equivalent O(18)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid, and  an edgeedge with one O(17)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the eleventh O site, O(11) is bonded to one Fe(11), one Fe(13), one Fe(4), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share  a cornercorner with one O(6)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid, corners with two equivalent O(14)Fe5 square pyramids, corners with two equivalent O(2)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid,  an edgeedge with one O(7)Fe5 square pyramid,  an edgeedge with one O(9)Fe5 square pyramid, and edges with two equivalent O(8)Fe5 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the twelfth O site, O(12) is bonded to one Fe(10), one Fe(12), one Fe(13), one Fe(14), one Fe(16), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(3)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid, corners with two equivalent O(9)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra, edges with two equivalent O(15)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the thirteenth O site, O(13) is bonded to one Fe(10), one Fe(12), one Fe(13), one Fe(15), and one Fe(8) atom to form OFe5 square pyramids that share  a cornercorner with one O(12)Fe6 octahedra, corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(10)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(9)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(6)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid, and  an edgeedge with one O(18)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the fourteenth O site, O(14) is bonded to one Fe(1), one Fe(11), one Fe(13), one Fe(14), and one Fe(15) atom to form OFe5 square pyramids that share  a cornercorner with one O(15)Fe6 octahedra, corners with two equivalent O(11)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(18)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-9°. In the fifteenth O site, O(15) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(15), one Fe(16), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(6)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid, corners with two equivalent O(1)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(12)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(18)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  an edgeedge with one O(9)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-7°. In the sixteenth O site, O(16) is bonded to one Fe(1), one Fe(12), one Fe(15), one Fe(16), one Fe(2), and one Fe(5) atom to form OFe6 octahedra that share  a cornercorner with one O(3)Fe6 octahedra,  a cornercorner with one O(17)Fe5 square pyramid, corners with two equivalent O(13)Fe5 square pyramids, corners with two equivalent O(7)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(17)Fe5 square pyramid,  an edgeedge with one O(2)Fe5 square pyramid,  an edgeedge with one O(4)Fe5 square pyramid,  an edgeedge with one O(5)Fe5 square pyramid, and edges with two equivalent O(18)Fe5 square pyramids. The corner-sharing octahedral tilt angles are 2°. In the seventeenth O site, O(17) is bonded to one Fe(1), one Fe(11), one Fe(12), one Fe(13), and one Fe(16) atom to form OFe5 square pyramids that share  a cornercorner with one O(12)Fe6 octahedra,  a cornercorner with one O(16)Fe6 octahedra,  a cornercorner with one O(1)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  a cornercorner with one O(18)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(8)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(14)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 7-9°. In the eighteenth O site, O(18) is bonded to one Fe(12), one Fe(14), one Fe(15), one Fe(2), and one Fe(5) atom to form OFe5 square pyramids that share  a cornercorner with one O(17)Fe5 square pyramid,  a cornercorner with one O(2)Fe5 square pyramid,  a cornercorner with one O(5)Fe5 square pyramid, corners with two equivalent O(10)Fe5 square pyramids, corners with two equivalent O(14)Fe5 square pyramids, corners with two equivalent O(4)Fe5 square pyramids,  an edgeedge with one O(12)Fe6 octahedra,  an edgeedge with one O(15)Fe6 octahedra,  an edgeedge with one O(3)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra,  an edgeedge with one O(1)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(7)Fe5 square pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe8O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.191
_cell_length_b   6.835
_cell_length_c   9.262
_cell_angle_alpha   102.961
_cell_angle_beta   90.291
_cell_angle_gamma   103.729
_symmetry_Int_Tables_number   1
_cell_volume   370.383
_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  0.503  0.994  0.998  1.0
  Fe  Fe1  1  0.833  0.328  0.890  1.0
  Fe  Fe2  1  0.166  0.669  0.778  1.0
  Fe  Fe3  1  0.494  0.008  0.664  1.0
  Fe  Fe4  1  0.328  0.329  0.888  1.0
  Fe  Fe5  1  0.659  0.656  0.447  1.0
  Fe  Fe6  1  0.662  0.662  0.775  1.0
  Fe  Fe7  1  0.840  0.338  0.557  1.0
  Fe  Fe8  1  0.000  0.000  0.671  1.0
  Fe  Fe9  1  0.172  0.657  0.445  1.0
  Fe  Fe10  1  0.498  0.004  0.339  1.0
  Fe  Fe11  1  0.838  0.330  0.218  1.0
  Fe  Fe12  1  0.007  0.004  0.335  1.0
  Fe  Fe13  1  0.159  0.681  0.108  1.0
  Fe  Fe14  1  0.327  0.331  0.218  1.0
  Fe  Fe15  1  0.675  0.676  0.109  1.0
  O  O16  1  0.893  0.640  0.938  1.0
  O  O17  1  0.269  0.001  0.819  1.0
  O  O18  1  0.413  0.658  0.943  1.0
  O  O19  1  0.597  0.320  0.733  1.0
  O  O20  1  0.735  0.011  0.824  1.0
  O  O21  1  0.917  0.666  0.609  1.0
  O  O22  1  0.059  0.334  0.737  1.0
  O  O23  1  0.255  0.979  0.494  1.0
  O  O24  1  0.433  0.696  0.617  1.0
  O  O25  1  0.599  0.325  0.371  1.0
  O  O26  1  0.732  0.002  0.500  1.0
  O  O27  1  0.912  0.657  0.281  1.0
  O  O28  1  0.067  0.335  0.372  1.0
  O  O29  1  0.278  0.999  0.179  1.0
  O  O30  1  0.428  0.680  0.277  1.0
  O  O31  1  0.601  0.329  0.057  1.0
  O  O32  1  0.740  0.012  0.189  1.0
  O  O33  1  0.075  0.355  0.063  1.0
[/CIF]
.