The material described by Fe3O4 is Hausmannite structured and crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(28), one O(29), and one O(32) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second Fe site, Fe(2) is bonded to one O(1), one O(13), one O(14), one O(20), one O(25), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(13)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(2), one O(21), one O(27), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(10)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(16)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(18), one O(20), one O(3), and one O(5) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the fifth Fe site, Fe(5) is bonded to one O(19), one O(26), one O(30), and one O(4) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the seventh Fe site, Fe(7) is bonded to one O(2), one O(23), one O(25), and one O(27) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(15), one O(20), one O(21), one O(23), and one O(25) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(12)O6 octahedra. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(24), one O(6), and one O(9) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(14), one O(15), and one O(21) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the eleventh Fe site, Fe(11) is bonded to one O(16), one O(17), one O(2), one O(31), one O(32), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(24)O6 octahedra. In the twelfth Fe site, Fe(12) is bonded to one O(15), one O(21), one O(23), one O(25), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. In the thirteenth Fe site, Fe(13) is bonded to one O(1), one O(14), one O(20), one O(23), one O(3), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourteenth Fe site, Fe(14) is bonded to one O(10), one O(24), one O(26), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra, and edges with two equivalent Fe(23)O6 octahedra. In the fifteenth Fe site, Fe(15) is bonded to one O(19), one O(22), one O(28), one O(29), one O(31), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra, and edges with two equivalent Fe(17)O6 octahedra. In the sixteenth Fe site, Fe(16) is bonded to one O(11), one O(15), one O(2), one O(27), one O(32), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(10)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the seventeenth Fe site, Fe(17) is bonded to one O(16), one O(22), one O(28), one O(29), one O(30), and one O(31) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra, and edges with two equivalent Fe(15)O6 octahedra. In the eighteenth Fe site, Fe(18) is bonded to one O(10), one O(12), one O(22), and one O(31) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the nineteenth Fe site, Fe(19) is bonded to one O(10), one O(12), one O(19), one O(28), one O(30), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(20)O6 octahedra. In the twentieth Fe site, Fe(20) is bonded to one O(10), one O(12), one O(19), one O(24), one O(29), and one O(30) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(19)O6 octahedra. In the twenty-first Fe site, Fe(21) is bonded to one O(1), one O(13), one O(18), one O(26), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(10)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(22)O6 octahedra. In the twenty-second Fe site, Fe(22) is bonded to one O(13), one O(14), one O(18), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(10)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(21)O6 octahedra. In the twenty-third Fe site, Fe(23) is bonded to one O(12), one O(18), one O(24), one O(26), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra, and edges with two equivalent Fe(14)O6 octahedra. In the twenty-fourth Fe site, Fe(24) is bonded to one O(16), one O(17), one O(22), one O(27), one O(32), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(11)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(13), one Fe(2), and one Fe(21) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(16), one Fe(3), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(13), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(22), one Fe(23), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(21), one Fe(22), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Fe(13), one Fe(21), one Fe(22), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(12), one Fe(16), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(15), one Fe(24), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Fe(14), one Fe(19), one Fe(23), and one Fe(9) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(18), one Fe(19), and one Fe(20) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Fe(16), one Fe(3), one Fe(6), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Fe(18), one Fe(19), one Fe(20), and one Fe(23) atom. In the thirteenth O site, O(13) is bonded to one Fe(2), one Fe(21), one Fe(22), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(13), one Fe(2), and one Fe(22) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(16), and one Fe(8) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(17), one Fe(24), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(24), and one Fe(3) atom. In the eighteenth O site, O(18) is bonded to one Fe(21), one Fe(22), one Fe(23), and one Fe(4) atom to form distorted corner-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Fe(15), one Fe(19), one Fe(20), and one Fe(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Fe(13), one Fe(2), one Fe(4), and one Fe(8) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(3), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Fe(15), one Fe(17), one Fe(18), and one Fe(24) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(13), one Fe(7), and one Fe(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(20), one Fe(23), and one Fe(9) atom. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(2), one Fe(7), and one Fe(8) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(21), one Fe(23), and one Fe(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Fe(16), one Fe(24), one Fe(3), and one Fe(7) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(15), one Fe(17), and one Fe(19) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(15), one Fe(17), and one Fe(20) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Fe(17), one Fe(19), one Fe(20), and one Fe(5) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(15), one Fe(17), and one Fe(18) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(16), and one Fe(24) atom. is represented by the CIF card [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.077
_cell_length_b   6.078
_cell_length_c   6.088
_cell_angle_alpha   119.916
_cell_angle_beta   90.037
_cell_angle_gamma   119.957
_symmetry_Int_Tables_number   1
_cell_volume   159.244
_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  0.376  0.501  0.631  1.0
  Fe  Fe1  1  0.750  0.249  0.249  1.0
  Fe  Fe2  1  0.123  0.999  0.869  1.0
  Fe  Fe3  1  0.750  0.250  0.750  1.0
  Fe  Fe4  1  0.249  0.750  0.251  1.0
  Fe  Fe5  1  0.750  0.749  0.250  1.0
  O  O6  1  0.993  0.741  0.478  1.0
  O  O7  1  0.980  0.235  0.500  1.0
  O  O8  1  0.508  0.760  0.023  1.0
  O  O9  1  0.508  0.237  0.501  1.0
  O  O10  1  0.989  0.732  0.002  1.0
  O  O11  1  0.991  0.262  1.000  1.0
  O  O12  1  0.521  0.266  1.000  1.0
  O  O13  1  0.511  0.770  0.500  1.0
[/CIF]
.
The material described by Fe3O4 is Hausmannite structured and crystallizes in the triclinic P1 space group. There are twenty-four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(17), one O(28), one O(29), and one O(32) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-61°. In the second Fe site, Fe(2) is bonded to one O(1), one O(13), one O(14), one O(20), one O(25), and one O(3) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(13)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(11), one O(17), one O(2), one O(21), one O(27), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(10)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(16)O6 octahedra. In the fourth Fe site, Fe(4) is bonded to one O(18), one O(20), one O(3), and one O(5) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the fifth Fe site, Fe(5) is bonded to one O(19), one O(26), one O(30), and one O(4) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the sixth Fe site, Fe(6) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the seventh Fe site, Fe(7) is bonded to one O(2), one O(23), one O(25), and one O(27) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the eighth Fe site, Fe(8) is bonded to one O(11), one O(15), one O(20), one O(21), one O(23), and one O(25) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(12)O6 octahedra. In the ninth Fe site, Fe(9) is bonded to one O(13), one O(24), one O(6), and one O(9) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-62°. In the tenth Fe site, Fe(10) is bonded to one O(1), one O(14), one O(15), and one O(21) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the eleventh Fe site, Fe(11) is bonded to one O(16), one O(17), one O(2), one O(31), one O(32), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(24)O6 octahedra. In the twelfth Fe site, Fe(12) is bonded to one O(15), one O(21), one O(23), one O(25), one O(3), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(4)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(8)O6 octahedra. In the thirteenth Fe site, Fe(13) is bonded to one O(1), one O(14), one O(20), one O(23), one O(3), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(7)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(10)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. In the fourteenth Fe site, Fe(14) is bonded to one O(10), one O(24), one O(26), one O(4), one O(5), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra, and edges with two equivalent Fe(23)O6 octahedra. In the fifteenth Fe site, Fe(15) is bonded to one O(19), one O(22), one O(28), one O(29), one O(31), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra, and edges with two equivalent Fe(17)O6 octahedra. In the sixteenth Fe site, Fe(16) is bonded to one O(11), one O(15), one O(2), one O(27), one O(32), and one O(7) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(10)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra, corners with two equivalent Fe(7)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(12)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra,  an edgeedge with one Fe(8)O6 octahedra, and edges with two equivalent Fe(3)O6 octahedra. In the seventeenth Fe site, Fe(17) is bonded to one O(16), one O(22), one O(28), one O(29), one O(30), and one O(31) atom to form FeO6 octahedra that share  a cornercorner with one Fe(5)O4 tetrahedra,  a cornercorner with one Fe(6)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra,  an edgeedge with one Fe(11)O6 octahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(24)O6 octahedra, and edges with two equivalent Fe(15)O6 octahedra. In the eighteenth Fe site, Fe(18) is bonded to one O(10), one O(12), one O(22), and one O(31) atom to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-61°. In the nineteenth Fe site, Fe(19) is bonded to one O(10), one O(12), one O(19), one O(28), one O(30), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(20)O6 octahedra. In the twentieth Fe site, Fe(20) is bonded to one O(10), one O(12), one O(19), one O(24), one O(29), and one O(30) atom to form FeO6 octahedra that share  a cornercorner with one Fe(1)O4 tetrahedra,  a cornercorner with one Fe(9)O4 tetrahedra, corners with two equivalent Fe(18)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(19)O6 octahedra. In the twenty-first Fe site, Fe(21) is bonded to one O(1), one O(13), one O(18), one O(26), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(10)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(22)O6 octahedra. In the twenty-second Fe site, Fe(22) is bonded to one O(13), one O(14), one O(18), one O(4), one O(5), and one O(6) atom to form FeO6 octahedra that share  a cornercorner with one Fe(10)O4 tetrahedra,  a cornercorner with one Fe(5)O4 tetrahedra, corners with two equivalent Fe(4)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(13)O6 octahedra,  an edgeedge with one Fe(14)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra,  an edgeedge with one Fe(23)O6 octahedra, and edges with two equivalent Fe(21)O6 octahedra. In the twenty-third Fe site, Fe(23) is bonded to one O(12), one O(18), one O(24), one O(26), one O(4), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(4)O4 tetrahedra, corners with two equivalent Fe(5)O4 tetrahedra, corners with two equivalent Fe(9)O4 tetrahedra,  an edgeedge with one Fe(19)O6 octahedra,  an edgeedge with one Fe(20)O6 octahedra,  an edgeedge with one Fe(21)O6 octahedra,  an edgeedge with one Fe(22)O6 octahedra, and edges with two equivalent Fe(14)O6 octahedra. In the twenty-fourth Fe site, Fe(24) is bonded to one O(16), one O(17), one O(22), one O(27), one O(32), and one O(8) atom to form FeO6 octahedra that share  a cornercorner with one Fe(18)O4 tetrahedra,  a cornercorner with one Fe(7)O4 tetrahedra, corners with two equivalent Fe(1)O4 tetrahedra, corners with two equivalent Fe(6)O4 tetrahedra,  an edgeedge with one Fe(15)O6 octahedra,  an edgeedge with one Fe(16)O6 octahedra,  an edgeedge with one Fe(17)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra, and edges with two equivalent Fe(11)O6 octahedra. There are thirty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(13), one Fe(2), and one Fe(21) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(16), one Fe(3), and one Fe(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(13), one Fe(2), and one Fe(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(22), one Fe(23), and one Fe(5) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(21), one Fe(22), and one Fe(4) atom. In the sixth O site, O(6) is bonded to one Fe(13), one Fe(21), one Fe(22), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(12), one Fe(16), one Fe(3), and one Fe(6) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(15), one Fe(24), and one Fe(6) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Fe(14), one Fe(19), one Fe(23), and one Fe(9) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(18), one Fe(19), and one Fe(20) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Fe(16), one Fe(3), one Fe(6), and one Fe(8) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Fe(18), one Fe(19), one Fe(20), and one Fe(23) atom. In the thirteenth O site, O(13) is bonded to one Fe(2), one Fe(21), one Fe(22), and one Fe(9) atom to form a mixture of distorted corner and edge-sharing OFe4 tetrahedra. In the fourteenth O site, O(14) is bonded to one Fe(10), one Fe(13), one Fe(2), and one Fe(22) atom to form a mixture of distorted corner and edge-sharing OFe4 trigonal pyramids. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(16), and one Fe(8) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(17), one Fe(24), and one Fe(6) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(24), and one Fe(3) atom. In the eighteenth O site, O(18) is bonded to one Fe(21), one Fe(22), one Fe(23), and one Fe(4) atom to form distorted corner-sharing OFe4 trigonal pyramids. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Fe(15), one Fe(19), one Fe(20), and one Fe(5) atom. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Fe(13), one Fe(2), one Fe(4), and one Fe(8) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Fe(10), one Fe(12), one Fe(3), and one Fe(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Fe(15), one Fe(17), one Fe(18), and one Fe(24) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(13), one Fe(7), and one Fe(8) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(20), one Fe(23), and one Fe(9) atom. In the twenty-fifth O site, O(25) is bonded in a rectangular see-saw-like geometry to one Fe(12), one Fe(2), one Fe(7), and one Fe(8) atom. In the twenty-sixth O site, O(26) is bonded in a rectangular see-saw-like geometry to one Fe(14), one Fe(21), one Fe(23), and one Fe(5) atom. In the twenty-seventh O site, O(27) is bonded in a distorted rectangular see-saw-like geometry to one Fe(16), one Fe(24), one Fe(3), and one Fe(7) atom. In the twenty-eighth O site, O(28) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(15), one Fe(17), and one Fe(19) atom. In the twenty-ninth O site, O(29) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(15), one Fe(17), and one Fe(20) atom. In the thirtieth O site, O(30) is bonded in a rectangular see-saw-like geometry to one Fe(17), one Fe(19), one Fe(20), and one Fe(5) atom. In the thirty-first O site, O(31) is bonded in a rectangular see-saw-like geometry to one Fe(11), one Fe(15), one Fe(17), and one Fe(18) atom. In the thirty-second O site, O(32) is bonded in a rectangular see-saw-like geometry to one Fe(1), one Fe(11), one Fe(16), and one Fe(24) atom. is represented by the CIF card [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.077
_cell_length_b   6.078
_cell_length_c   6.088
_cell_angle_alpha   119.916
_cell_angle_beta   90.037
_cell_angle_gamma   119.957
_symmetry_Int_Tables_number   1
_cell_volume   159.244
_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  0.376  0.501  0.631  1.0
  Fe  Fe1  1  0.750  0.249  0.249  1.0
  Fe  Fe2  1  0.123  0.999  0.869  1.0
  Fe  Fe3  1  0.750  0.250  0.750  1.0
  Fe  Fe4  1  0.249  0.750  0.251  1.0
  Fe  Fe5  1  0.750  0.749  0.250  1.0
  O  O6  1  0.993  0.741  0.478  1.0
  O  O7  1  0.980  0.235  0.500  1.0
  O  O8  1  0.508  0.760  0.023  1.0
  O  O9  1  0.508  0.237  0.501  1.0
  O  O10  1  0.989  0.732  0.002  1.0
  O  O11  1  0.991  0.262  1.000  1.0
  O  O12  1  0.521  0.266  1.000  1.0
  O  O13  1  0.511  0.770  0.500  1.0
[/CIF]
.