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.
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. Both Fe(1)-O(2) bond lengths are 2.13 Å. There are two shorter (2.26 Å) and two longer (2.34 Å) Fe(1)-O(3) bond lengths. 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°. The Fe(2)-O(2) bond length is 1.97 Å. There is one shorter (2.10 Å) and one longer (2.11 Å) Fe(2)-O(1) bond length. There are a spread of Fe(2)-O(3) bond distances ranging from 2.04-2.10 Å. 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.