The material described by Fe3O4 crystallizes in the monoclinic Pc space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), two equivalent Fe(2), and two equivalent Fe(5) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with four equivalent O(5)Fe4 tetrahedra, corners with two equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(5)Fe4 tetrahedra,  an edgeedge with one O(3)Fe5 trigonal bipyramid, and edges with two equivalent O(1)Fe5 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(6), two equivalent Fe(1), and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded to one Fe(4), two equivalent Fe(2), and two equivalent Fe(6) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with four equivalent O(5)Fe4 tetrahedra, corners with two equivalent O(1)Fe5 trigonal bipyramids,  an edgeedge with one O(5)Fe4 tetrahedra,  an edgeedge with one O(1)Fe5 trigonal bipyramid, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Fe(5), two equivalent Fe(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to one Fe(5), one Fe(6), and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(5)Fe4 tetrahedra, corners with four equivalent O(1)Fe5 trigonal bipyramids, corners with four equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(1)Fe5 trigonal bipyramid, and  an edgeedge with one O(3)Fe5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Fe(3), one Fe(4), and two equivalent Fe(1) atoms to form distorted OFe4 tetrahedra that share corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(1)Fe5 trigonal bipyramid, and  a cornercorner with one O(3)Fe5 trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.956
_cell_length_b   9.795
_cell_length_c   10.005
_cell_angle_alpha   90.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.691
_cell_formula_units_Z   4
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  0.675  0.138  0.752  1.0
  Fe  Fe1  1  0.721  0.366  0.248  1.0
  Fe  Fe2  1  0.279  0.866  0.248  1.0
  Fe  Fe3  1  0.325  0.638  0.752  1.0
  Fe  Fe4  1  0.771  0.881  0.574  1.0
  Fe  Fe5  1  0.229  0.381  0.574  1.0
  Fe  Fe6  1  0.210  0.382  0.925  1.0
  Fe  Fe7  1  0.245  0.117  0.425  1.0
  Fe  Fe8  1  0.255  0.118  0.076  1.0
  Fe  Fe9  1  0.755  0.617  0.425  1.0
  Fe  Fe10  1  0.790  0.882  0.925  1.0
  Fe  Fe11  1  0.745  0.618  0.076  1.0
  O  O12  1  0.247  0.478  0.386  1.0
  O  O13  1  0.287  0.021  0.888  1.0
  O  O14  1  0.234  0.479  0.113  1.0
  O  O15  1  0.753  0.978  0.386  1.0
  O  O16  1  0.713  0.521  0.888  1.0
  O  O17  1  0.766  0.979  0.113  1.0
  O  O18  1  0.733  0.519  0.609  1.0
  O  O19  1  0.267  0.019  0.609  1.0
  O  O20  1  0.225  0.211  0.251  1.0
  O  O21  1  0.820  0.791  0.750  1.0
  O  O22  1  0.180  0.291  0.750  1.0
  O  O23  1  0.775  0.711  0.251  1.0
  O  O24  1  0.272  0.751  0.002  1.0
  O  O25  1  0.731  0.249  0.501  1.0
  O  O26  1  0.269  0.749  0.501  1.0
  O  O27  1  0.728  0.251  0.002  1.0
[/CIF]
.
The material described by Fe3O4 crystallizes in the monoclinic Pc space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the third Fe site, Fe(3) is bonded to one O(1), one O(6), two equivalent O(4), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the fourth Fe site, Fe(4) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-54°. In the fifth Fe site, Fe(5) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. In the sixth Fe site, Fe(6) is bonded to one O(2), one O(5), two equivalent O(3), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 1-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Fe(3), two equivalent Fe(2), and two equivalent Fe(5) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with four equivalent O(5)Fe4 tetrahedra, corners with two equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(5)Fe4 tetrahedra,  an edgeedge with one O(3)Fe5 trigonal bipyramid, and edges with two equivalent O(1)Fe5 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Fe(6), two equivalent Fe(1), and two equivalent Fe(4) atoms. In the third O site, O(3) is bonded to one Fe(4), two equivalent Fe(2), and two equivalent Fe(6) atoms to form distorted OFe5 trigonal bipyramids that share  a cornercorner with one O(6)Fe4 tetrahedra, corners with four equivalent O(5)Fe4 tetrahedra, corners with two equivalent O(1)Fe5 trigonal bipyramids,  an edgeedge with one O(5)Fe4 tetrahedra,  an edgeedge with one O(1)Fe5 trigonal bipyramid, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Fe(5), two equivalent Fe(1), and two equivalent Fe(3) atoms. In the fifth O site, O(5) is bonded to one Fe(5), one Fe(6), and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(5)Fe4 tetrahedra, corners with four equivalent O(1)Fe5 trigonal bipyramids, corners with four equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(1)Fe5 trigonal bipyramid, and  an edgeedge with one O(3)Fe5 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Fe(3), one Fe(4), and two equivalent Fe(1) atoms to form distorted OFe4 tetrahedra that share corners with two equivalent O(6)Fe4 tetrahedra,  a cornercorner with one O(1)Fe5 trigonal bipyramid, and  a cornercorner with one O(3)Fe5 trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(3), and two equivalent Fe(5) atoms. is represented by the CIF card [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.956
_cell_length_b   9.795
_cell_length_c   10.005
_cell_angle_alpha   90.287
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   289.691
_cell_formula_units_Z   4
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  0.675  0.138  0.752  1.0
  Fe  Fe1  1  0.721  0.366  0.248  1.0
  Fe  Fe2  1  0.279  0.866  0.248  1.0
  Fe  Fe3  1  0.325  0.638  0.752  1.0
  Fe  Fe4  1  0.771  0.881  0.574  1.0
  Fe  Fe5  1  0.229  0.381  0.574  1.0
  Fe  Fe6  1  0.210  0.382  0.925  1.0
  Fe  Fe7  1  0.245  0.117  0.425  1.0
  Fe  Fe8  1  0.255  0.118  0.076  1.0
  Fe  Fe9  1  0.755  0.617  0.425  1.0
  Fe  Fe10  1  0.790  0.882  0.925  1.0
  Fe  Fe11  1  0.745  0.618  0.076  1.0
  O  O12  1  0.247  0.478  0.386  1.0
  O  O13  1  0.287  0.021  0.888  1.0
  O  O14  1  0.234  0.479  0.113  1.0
  O  O15  1  0.753  0.978  0.386  1.0
  O  O16  1  0.713  0.521  0.888  1.0
  O  O17  1  0.766  0.979  0.113  1.0
  O  O18  1  0.733  0.519  0.609  1.0
  O  O19  1  0.267  0.019  0.609  1.0
  O  O20  1  0.225  0.211  0.251  1.0
  O  O21  1  0.820  0.791  0.750  1.0
  O  O22  1  0.180  0.291  0.750  1.0
  O  O23  1  0.775  0.711  0.251  1.0
  O  O24  1  0.272  0.751  0.002  1.0
  O  O25  1  0.731  0.249  0.501  1.0
  O  O26  1  0.269  0.749  0.501  1.0
  O  O27  1  0.728  0.251  0.002  1.0
[/CIF]
.