Mn3O4 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(8) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. In the fourth Mn site, Mn(4) is bonded to one O(6), two equivalent O(2), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. In the fifth Mn site, Mn(5) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. In the sixth Mn site, Mn(6) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1) and two equivalent Mn(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(2) and two equivalent Mn(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(3) and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Mn(2) atoms.
Mn3O4 crystallizes in the monoclinic P2_1 space group. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(2), two equivalent O(1), and two equivalent O(8) atoms. The Mn(1)-O(2) bond length is 2.01 Å. There is one shorter (2.08 Å) and one longer (2.49 Å) Mn(1)-O(1) bond length. There is one shorter (2.05 Å) and one longer (2.07 Å) Mn(1)-O(8) bond length. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(3), and two equivalent O(8) atoms. The Mn(2)-O(4) bond length is 2.03 Å. There is one shorter (2.14 Å) and one longer (2.31 Å) Mn(2)-O(3) bond length. There is one shorter (2.07 Å) and one longer (2.09 Å) Mn(2)-O(8) bond length. In the third Mn site, Mn(3) is bonded to one O(5), two equivalent O(4), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. The Mn(3)-O(5) bond length is 2.10 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Mn(3)-O(4) bond length. There is one shorter (2.05 Å) and one longer (2.08 Å) Mn(3)-O(7) bond length. In the fourth Mn site, Mn(4) is bonded to one O(6), two equivalent O(2), and two equivalent O(7) atoms to form a mixture of corner and edge-sharing MnO5 square pyramids. The Mn(4)-O(6) bond length is 2.11 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Mn(4)-O(2) bond length. Both Mn(4)-O(7) bond lengths are 2.06 Å. In the fifth Mn site, Mn(5) is bonded in a rectangular see-saw-like geometry to two equivalent O(3) and two equivalent O(6) atoms. There is one shorter (1.96 Å) and one longer (1.99 Å) Mn(5)-O(3) bond length. There is one shorter (1.89 Å) and one longer (1.91 Å) Mn(5)-O(6) bond length. In the sixth Mn site, Mn(6) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(5) atoms. There is one shorter (1.95 Å) and one longer (1.97 Å) Mn(6)-O(1) bond length. There is one shorter (1.90 Å) and one longer (1.91 Å) Mn(6)-O(5) bond length. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(1) and two equivalent Mn(6) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(2) and two equivalent Mn(5) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(4) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to two equivalent Mn(3) and two equivalent Mn(4) atoms. In the eighth O site, O(8) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Mn(2) atoms.