The material described by Fe3O4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Fe(2) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(2)Fe4 tetrahedra, corners with ten equivalent O(3)Fe5 trigonal bipyramids, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form distorted OFe5 trigonal bipyramids that share corners with five equivalent O(2)Fe4 tetrahedra, corners with two equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(2)Fe4 tetrahedra, and edges with five equivalent O(3)Fe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.959
_cell_length_b   9.802
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.041
_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  0.732  0.133  0.750  1.0
  Fe  Fe1  1  0.268  0.867  0.250  1.0
  Fe  Fe2  1  0.732  0.367  0.250  1.0
  Fe  Fe3  1  0.268  0.633  0.750  1.0
  Fe  Fe4  1  0.244  0.382  0.575  1.0
  Fe  Fe5  1  0.756  0.618  0.075  1.0
  Fe  Fe6  1  0.244  0.118  0.425  1.0
  Fe  Fe7  1  0.756  0.882  0.925  1.0
  Fe  Fe8  1  0.756  0.618  0.425  1.0
  Fe  Fe9  1  0.244  0.382  0.925  1.0
  Fe  Fe10  1  0.756  0.882  0.575  1.0
  Fe  Fe11  1  0.244  0.118  0.075  1.0
  O  O12  1  0.743  0.250  0.500  1.0
  O  O13  1  0.257  0.750  0.000  1.0
  O  O14  1  0.257  0.750  0.500  1.0
  O  O15  1  0.743  0.250  0.000  1.0
  O  O16  1  0.231  0.289  0.750  1.0
  O  O17  1  0.769  0.711  0.250  1.0
  O  O18  1  0.231  0.211  0.250  1.0
  O  O19  1  0.769  0.789  0.750  1.0
  O  O20  1  0.253  0.021  0.612  1.0
  O  O21  1  0.747  0.979  0.112  1.0
  O  O22  1  0.253  0.479  0.388  1.0
  O  O23  1  0.747  0.521  0.888  1.0
  O  O24  1  0.747  0.979  0.388  1.0
  O  O25  1  0.253  0.021  0.888  1.0
  O  O26  1  0.747  0.521  0.612  1.0
  O  O27  1  0.253  0.479  0.112  1.0
[/CIF]
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The material described by Fe3O4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. In the second Fe site, Fe(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles range from 0-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Fe(2) atoms. In the second O site, O(2) is bonded to two equivalent Fe(1) and two equivalent Fe(2) atoms to form OFe4 tetrahedra that share corners with two equivalent O(2)Fe4 tetrahedra, corners with ten equivalent O(3)Fe5 trigonal bipyramids, and edges with two equivalent O(3)Fe5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Fe(1) and three equivalent Fe(2) atoms to form distorted OFe5 trigonal bipyramids that share corners with five equivalent O(2)Fe4 tetrahedra, corners with two equivalent O(3)Fe5 trigonal bipyramids,  an edgeedge with one O(2)Fe4 tetrahedra, and edges with five equivalent O(3)Fe5 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.959
_cell_length_b   9.802
_cell_length_c   10.002
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   290.041
_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  0.732  0.133  0.750  1.0
  Fe  Fe1  1  0.268  0.867  0.250  1.0
  Fe  Fe2  1  0.732  0.367  0.250  1.0
  Fe  Fe3  1  0.268  0.633  0.750  1.0
  Fe  Fe4  1  0.244  0.382  0.575  1.0
  Fe  Fe5  1  0.756  0.618  0.075  1.0
  Fe  Fe6  1  0.244  0.118  0.425  1.0
  Fe  Fe7  1  0.756  0.882  0.925  1.0
  Fe  Fe8  1  0.756  0.618  0.425  1.0
  Fe  Fe9  1  0.244  0.382  0.925  1.0
  Fe  Fe10  1  0.756  0.882  0.575  1.0
  Fe  Fe11  1  0.244  0.118  0.075  1.0
  O  O12  1  0.743  0.250  0.500  1.0
  O  O13  1  0.257  0.750  0.000  1.0
  O  O14  1  0.257  0.750  0.500  1.0
  O  O15  1  0.743  0.250  0.000  1.0
  O  O16  1  0.231  0.289  0.750  1.0
  O  O17  1  0.769  0.711  0.250  1.0
  O  O18  1  0.231  0.211  0.250  1.0
  O  O19  1  0.769  0.789  0.750  1.0
  O  O20  1  0.253  0.021  0.612  1.0
  O  O21  1  0.747  0.979  0.112  1.0
  O  O22  1  0.253  0.479  0.388  1.0
  O  O23  1  0.747  0.521  0.888  1.0
  O  O24  1  0.747  0.979  0.388  1.0
  O  O25  1  0.253  0.021  0.888  1.0
  O  O26  1  0.747  0.521  0.612  1.0
  O  O27  1  0.253  0.479  0.112  1.0
[/CIF]
.