The crystal structure described by Fe3O4 crystallizes in the cubic F-43m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(2) and three equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   6.433
_cell_length_c   6.433
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   188.214
_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  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.104  0.104  0.104  1.0
  Fe  Fe3  1  0.688  0.104  0.104  1.0
  Fe  Fe4  1  0.104  0.104  0.688  1.0
  Fe  Fe5  1  0.104  0.688  0.104  1.0
  O  O6  1  0.360  0.360  0.360  1.0
  O  O7  1  0.360  0.920  0.360  1.0
  O  O8  1  0.360  0.360  0.920  1.0
  O  O9  1  0.920  0.360  0.360  1.0
  O  O10  1  0.367  0.878  0.878  1.0
  O  O11  1  0.878  0.878  0.878  1.0
  O  O12  1  0.878  0.367  0.878  1.0
  O  O13  1  0.878  0.878  0.367  1.0
[/CIF]
.
The crystal structure described by Fe3O4 crystallizes in the cubic F-43m space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. In the second Fe site, Fe(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. In the third Fe site, Fe(3) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Fe(2) and three equivalent Fe(3) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Fe(1) and three equivalent Fe(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Fe3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.433
_cell_length_b   6.433
_cell_length_c   6.433
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   188.214
_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  0.750  0.750  0.750  1.0
  Fe  Fe1  1  0.250  0.250  0.250  1.0
  Fe  Fe2  1  0.104  0.104  0.104  1.0
  Fe  Fe3  1  0.688  0.104  0.104  1.0
  Fe  Fe4  1  0.104  0.104  0.688  1.0
  Fe  Fe5  1  0.104  0.688  0.104  1.0
  O  O6  1  0.360  0.360  0.360  1.0
  O  O7  1  0.360  0.920  0.360  1.0
  O  O8  1  0.360  0.360  0.920  1.0
  O  O9  1  0.920  0.360  0.360  1.0
  O  O10  1  0.367  0.878  0.878  1.0
  O  O11  1  0.878  0.878  0.878  1.0
  O  O12  1  0.878  0.367  0.878  1.0
  O  O13  1  0.878  0.878  0.367  1.0
[/CIF]
.