The compound described by Fe15O16 crystallizes in the triclinic P1 space group. There are fifteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(5), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-66°. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(2), one O(5), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(16), and one O(7) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(14)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Fe(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Fe(8)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the tenth Fe site, Fe(10) is bonded to one O(14), one O(15), one O(16), one O(4), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(14)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the eleventh Fe site, Fe(11) is bonded to one O(14), one O(16), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(6)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form FeO6 octahedra that share corners with four equivalent Fe(8)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the thirteenth Fe site, Fe(13) is bonded to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourteenth Fe site, Fe(14) is bonded to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifteenth Fe site, Fe(15) is bonded to one O(1), one O(10), one O(11), one O(13), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(12), one Fe(15), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OFe6 octahedra that share corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(15)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with three equivalent O(13)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  a faceface with one O(7)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the second O site, O(2) is bonded to one Fe(12), one Fe(14), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with two equivalent O(12)Fe5 square pyramids, corners with four equivalent O(15)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra, edges with two equivalent O(5)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(8)Fe5 square pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(15), one Fe(2), one Fe(5), and one Fe(9) atom. In the fourth O site, O(4) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(6), one Fe(7), and one Fe(8) atom to form OFe6 octahedra that share corners with four equivalent O(16)Fe6 octahedra, corners with two equivalent O(13)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(9)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(15)Fe5 square pyramid, and edges with two equivalent O(14)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(11), one Fe(12), one Fe(3), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with two equivalent O(7)Fe6 octahedra, corners with four equivalent O(11)Fe6 octahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(15)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-25°. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Fe(10), one Fe(13), one Fe(2), and one Fe(7) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(11), one Fe(13), one Fe(2), one Fe(4), and one Fe(7) atom to form distorted OFe6 octahedra that share corners with two equivalent O(5)Fe6 octahedra,  a cornercorner with one O(12)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid, corners with three equivalent O(10)Fe5 square pyramids,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  a faceface with one O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth O site, O(8) is bonded to one Fe(1), one Fe(13), one Fe(15), one Fe(3), and one Fe(5) atom to form OFe5 square pyramids that share  a cornercorner with one O(1)Fe6 octahedra, corners with two equivalent O(9)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(15)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(13)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-87°. In the ninth O site, O(9) is bonded to one Fe(10), one Fe(11), one Fe(13), one Fe(14), one Fe(3), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(8)Fe5 square pyramids, corners with four equivalent O(14)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra, edges with two equivalent O(4)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(15)Fe5 square pyramid. In the tenth O site, O(10) is bonded to one Fe(13), one Fe(15), one Fe(4), one Fe(6), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(11)Fe6 octahedra, corners with three equivalent O(7)Fe6 octahedra,  a cornercorner with one O(12)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 1-23°. In the eleventh O site, O(11) is bonded to one Fe(12), one Fe(15), one Fe(3), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with four equivalent O(5)Fe6 octahedra, corners with two equivalent O(10)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(15)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the twelfth O site, O(12) is bonded to one Fe(13), one Fe(14), one Fe(4), one Fe(5), and one Fe(7) atom to form OFe5 square pyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(9)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(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 10-82°. In the thirteenth O site, O(13) is bonded to one Fe(1), one Fe(15), one Fe(5), one Fe(7), and one Fe(8) atom to form OFe5 square pyramids that share corners with two equivalent O(4)Fe6 octahedra, corners with three equivalent O(1)Fe6 octahedra,  a cornercorner with one O(15)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-23°. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(6), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with four equivalent O(9)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(12)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra, edges with two equivalent O(4)Fe6 octahedra, and  an edgeedge with one O(15)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 1-84°. In the fifteenth O site, O(15) is bonded to one Fe(10), one Fe(12), one Fe(3), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(1)Fe6 octahedra, corners with four equivalent O(2)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra, edges with two equivalent O(5)Fe6 octahedra, and  an edgeedge with one O(14)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-87°. In the sixteenth O site, O(16) is bonded to one Fe(10), one Fe(11), one Fe(12), one Fe(14), one Fe(4), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with four equivalent O(4)Fe6 octahedra,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(9)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(15)Fe5 square pyramid, and edges with two equivalent O(14)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-27°. is represented by the CIF card [CIF]
data_Fe15O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   6.265
_cell_length_c   8.768
_cell_angle_alpha   90.377
_cell_angle_beta   90.449
_cell_angle_gamma   90.088
_symmetry_Int_Tables_number   1
_cell_volume   343.171
_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
  Fe  Fe0  1  0.681  0.260  0.264  1.0
  Fe  Fe1  1  0.040  0.212  0.127  1.0
  Fe  Fe2  1  0.490  0.496  0.503  1.0
  Fe  Fe3  1  0.990  0.569  0.992  1.0
  Fe  Fe4  1  0.752  0.754  0.251  1.0
  Fe  Fe5  1  0.248  0.762  0.751  1.0
  Fe  Fe6  1  0.506  0.997  0.003  1.0
  Fe  Fe7  1  0.490  1.000  0.497  1.0
  Fe  Fe8  1  0.002  0.007  0.499  1.0
  Fe  Fe9  1  0.245  0.249  0.752  1.0
  Fe  Fe10  1  0.757  0.246  0.756  1.0
  Fe  Fe11  1  0.001  0.495  0.494  1.0
  Fe  Fe12  1  0.499  0.502  0.998  1.0
  Fe  Fe13  1  0.756  0.761  0.748  1.0
  Fe  Fe14  1  0.256  0.747  0.252  1.0
  O  O15  1  0.998  0.488  0.234  1.0
  O  O16  1  0.741  0.726  0.501  1.0
  O  O17  1  0.006  0.968  0.254  1.0
  O  O18  1  0.500  0.014  0.742  1.0
  O  O19  1  0.755  0.248  0.491  1.0
  O  O20  1  0.286  0.251  0.998  1.0
  O  O21  1  0.752  0.264  0.016  1.0
  O  O22  1  0.504  0.529  0.236  1.0
  O  O23  1  0.517  0.504  0.764  1.0
  O  O24  1  0.271  0.731  0.992  1.0
  O  O25  1  0.239  0.750  0.509  1.0
  O  O26  1  0.716  0.741  0.998  1.0
  O  O27  1  0.506  0.992  0.257  1.0
  O  O28  1  0.988  0.997  0.741  1.0
  O  O29  1  0.253  0.267  0.510  1.0
  O  O30  1  0.002  0.491  0.763  1.0
[/CIF]
.
The compound described by Fe15O16 crystallizes in the triclinic P1 space group. There are fifteen inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 5-coordinate geometry to one O(1), one O(13), one O(5), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 39-66°. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(2), one O(5), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fourth Fe site, Fe(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(12), one O(16), and one O(7) atom. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(12), one O(13), one O(2), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(14)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Fe(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-13°. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(11), one O(14), one O(16), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh Fe site, Fe(7) is bonded to one O(10), one O(12), one O(13), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Fe(8)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(13)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(13), one O(15), one O(2), one O(4), and one O(5) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the ninth Fe site, Fe(9) is bonded to one O(11), one O(14), one O(15), one O(2), one O(3), and one O(5) atom to form FeO6 octahedra that share corners with four equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(12)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the tenth Fe site, Fe(10) is bonded to one O(14), one O(15), one O(16), one O(4), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(14)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(11)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the eleventh Fe site, Fe(11) is bonded to one O(14), one O(16), one O(4), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(6)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, edges with two equivalent Fe(10)O6 octahedra, and edges with two equivalent Fe(14)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the twelfth Fe site, Fe(12) is bonded to one O(1), one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form FeO6 octahedra that share corners with four equivalent Fe(8)O6 octahedra,  a cornercorner with one Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and edges with two equivalent Fe(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the thirteenth Fe site, Fe(13) is bonded to one O(10), one O(12), one O(6), one O(7), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(10)O6 octahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra,  an edgeedge with one Fe(6)O6 octahedra, and edges with two equivalent Fe(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-10°. In the fourteenth Fe site, Fe(14) is bonded to one O(12), one O(14), one O(16), one O(2), one O(4), and one O(9) atom to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. In the fifteenth Fe site, Fe(15) is bonded to one O(1), one O(10), one O(11), one O(13), one O(3), and one O(8) atom to form FeO6 octahedra that share corners with two equivalent Fe(6)O6 octahedra, corners with two equivalent Fe(2)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(7)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra,  an edgeedge with one Fe(9)O6 octahedra, and edges with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Fe(1), one Fe(12), one Fe(15), one Fe(2), one Fe(4), and one Fe(5) atom to form distorted OFe6 octahedra that share corners with two equivalent O(16)Fe6 octahedra,  a cornercorner with one O(15)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid, corners with three equivalent O(13)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  a faceface with one O(7)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 2-27°. In the second O site, O(2) is bonded to one Fe(12), one Fe(14), one Fe(3), one Fe(5), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with two equivalent O(12)Fe5 square pyramids, corners with four equivalent O(15)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra, edges with two equivalent O(5)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(8)Fe5 square pyramid. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Fe(15), one Fe(2), one Fe(5), and one Fe(9) atom. In the fourth O site, O(4) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(6), one Fe(7), and one Fe(8) atom to form OFe6 octahedra that share corners with four equivalent O(16)Fe6 octahedra, corners with two equivalent O(13)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(9)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(15)Fe5 square pyramid, and edges with two equivalent O(14)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the fifth O site, O(5) is bonded to one Fe(1), one Fe(11), one Fe(12), one Fe(3), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with two equivalent O(7)Fe6 octahedra, corners with four equivalent O(11)Fe6 octahedra,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(15)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-25°. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Fe(10), one Fe(13), one Fe(2), and one Fe(7) atom. In the seventh O site, O(7) is bonded to one Fe(1), one Fe(11), one Fe(13), one Fe(2), one Fe(4), and one Fe(7) atom to form distorted OFe6 octahedra that share corners with two equivalent O(5)Fe6 octahedra,  a cornercorner with one O(12)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid, corners with three equivalent O(10)Fe5 square pyramids,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and  a faceface with one O(1)Fe6 octahedra. The corner-sharing octahedral tilt angles range from 3-25°. In the eighth O site, O(8) is bonded to one Fe(1), one Fe(13), one Fe(15), one Fe(3), and one Fe(5) atom to form OFe5 square pyramids that share  a cornercorner with one O(1)Fe6 octahedra, corners with two equivalent O(9)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(15)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(13)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 6-87°. In the ninth O site, O(9) is bonded to one Fe(10), one Fe(11), one Fe(13), one Fe(14), one Fe(3), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(8)Fe5 square pyramids, corners with four equivalent O(14)Fe5 square pyramids,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra, edges with two equivalent O(4)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(15)Fe5 square pyramid. In the tenth O site, O(10) is bonded to one Fe(13), one Fe(15), one Fe(4), one Fe(6), and one Fe(7) atom to form OFe5 square pyramids that share corners with two equivalent O(11)Fe6 octahedra, corners with three equivalent O(7)Fe6 octahedra,  a cornercorner with one O(12)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(13)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 1-23°. In the eleventh O site, O(11) is bonded to one Fe(12), one Fe(15), one Fe(3), one Fe(6), one Fe(8), and one Fe(9) atom to form OFe6 octahedra that share corners with four equivalent O(5)Fe6 octahedra, corners with two equivalent O(10)Fe5 square pyramids,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(2)Fe6 octahedra,  an edgeedge with one O(13)Fe5 square pyramid,  an edgeedge with one O(14)Fe5 square pyramid,  an edgeedge with one O(8)Fe5 square pyramid, and edges with two equivalent O(15)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-4°. In the twelfth O site, O(12) is bonded to one Fe(13), one Fe(14), one Fe(4), one Fe(5), and one Fe(7) atom to form OFe5 square pyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with two equivalent O(2)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(14)Fe5 square pyramid,  an edgeedge with one O(1)Fe6 octahedra,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(9)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(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 10-82°. In the thirteenth O site, O(13) is bonded to one Fe(1), one Fe(15), one Fe(5), one Fe(7), and one Fe(8) atom to form OFe5 square pyramids that share corners with two equivalent O(4)Fe6 octahedra, corners with three equivalent O(1)Fe6 octahedra,  a cornercorner with one O(15)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid, and  an edgeedge with one O(8)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-23°. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(11), one Fe(14), one Fe(6), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(7)Fe6 octahedra, corners with four equivalent O(9)Fe6 octahedra,  a cornercorner with one O(10)Fe5 square pyramid,  a cornercorner with one O(12)Fe5 square pyramid,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra, edges with two equivalent O(16)Fe6 octahedra, edges with two equivalent O(4)Fe6 octahedra, and  an edgeedge with one O(15)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 1-84°. In the fifteenth O site, O(15) is bonded to one Fe(10), one Fe(12), one Fe(3), one Fe(8), and one Fe(9) atom to form OFe5 square pyramids that share  a cornercorner with one O(1)Fe6 octahedra, corners with four equivalent O(2)Fe6 octahedra,  a cornercorner with one O(13)Fe5 square pyramid,  a cornercorner with one O(8)Fe5 square pyramid,  an edgeedge with one O(16)Fe6 octahedra,  an edgeedge with one O(4)Fe6 octahedra,  an edgeedge with one O(9)Fe6 octahedra, edges with two equivalent O(11)Fe6 octahedra, edges with two equivalent O(5)Fe6 octahedra, and  an edgeedge with one O(14)Fe5 square pyramid. The corner-sharing octahedral tilt angles range from 2-87°. In the sixteenth O site, O(16) is bonded to one Fe(10), one Fe(11), one Fe(12), one Fe(14), one Fe(4), and one Fe(6) atom to form OFe6 octahedra that share corners with two equivalent O(1)Fe6 octahedra, corners with four equivalent O(4)Fe6 octahedra,  an edgeedge with one O(11)Fe6 octahedra,  an edgeedge with one O(2)Fe6 octahedra,  an edgeedge with one O(5)Fe6 octahedra,  an edgeedge with one O(7)Fe6 octahedra, edges with two equivalent O(9)Fe6 octahedra,  an edgeedge with one O(10)Fe5 square pyramid,  an edgeedge with one O(12)Fe5 square pyramid,  an edgeedge with one O(15)Fe5 square pyramid, and edges with two equivalent O(14)Fe5 square pyramids. The corner-sharing octahedral tilt angles range from 2-27°. is represented by the CIF card [CIF]
data_Fe15O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.247
_cell_length_b   6.265
_cell_length_c   8.768
_cell_angle_alpha   90.377
_cell_angle_beta   90.449
_cell_angle_gamma   90.088
_symmetry_Int_Tables_number   1
_cell_volume   343.171
_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
  Fe  Fe0  1  0.681  0.260  0.264  1.0
  Fe  Fe1  1  0.040  0.212  0.127  1.0
  Fe  Fe2  1  0.490  0.496  0.503  1.0
  Fe  Fe3  1  0.990  0.569  0.992  1.0
  Fe  Fe4  1  0.752  0.754  0.251  1.0
  Fe  Fe5  1  0.248  0.762  0.751  1.0
  Fe  Fe6  1  0.506  0.997  0.003  1.0
  Fe  Fe7  1  0.490  1.000  0.497  1.0
  Fe  Fe8  1  0.002  0.007  0.499  1.0
  Fe  Fe9  1  0.245  0.249  0.752  1.0
  Fe  Fe10  1  0.757  0.246  0.756  1.0
  Fe  Fe11  1  0.001  0.495  0.494  1.0
  Fe  Fe12  1  0.499  0.502  0.998  1.0
  Fe  Fe13  1  0.756  0.761  0.748  1.0
  Fe  Fe14  1  0.256  0.747  0.252  1.0
  O  O15  1  0.998  0.488  0.234  1.0
  O  O16  1  0.741  0.726  0.501  1.0
  O  O17  1  0.006  0.968  0.254  1.0
  O  O18  1  0.500  0.014  0.742  1.0
  O  O19  1  0.755  0.248  0.491  1.0
  O  O20  1  0.286  0.251  0.998  1.0
  O  O21  1  0.752  0.264  0.016  1.0
  O  O22  1  0.504  0.529  0.236  1.0
  O  O23  1  0.517  0.504  0.764  1.0
  O  O24  1  0.271  0.731  0.992  1.0
  O  O25  1  0.239  0.750  0.509  1.0
  O  O26  1  0.716  0.741  0.998  1.0
  O  O27  1  0.506  0.992  0.257  1.0
  O  O28  1  0.988  0.997  0.741  1.0
  O  O29  1  0.253  0.267  0.510  1.0
  O  O30  1  0.002  0.491  0.763  1.0
[/CIF]
.