MoMn2B4 crystallizes in the orthorhombic Immm space group. Mo(1) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of distorted edge and face-sharing MoB12 cuboctahedra. Mn(1) is bonded in a 7-coordinate geometry to two equivalent B(2) and five equivalent B(1) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Mo(1), five equivalent Mn(1), and two equivalent B(2) atoms. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Mo(1), two equivalent Mn(1), one B(2), and two equivalent B(1) atoms.
MoMn2B4 crystallizes in the orthorhombic Immm space group. Mo(1) is bonded to four equivalent B(1) and eight equivalent B(2) atoms to form a mixture of distorted edge and face-sharing MoB12 cuboctahedra. All Mo(1)-B(1) bond lengths are 2.45 Å. All Mo(1)-B(2) bond lengths are 2.35 Å. Mn(1) is bonded in a 7-coordinate geometry to two equivalent B(2) and five equivalent B(1) atoms. Both Mn(1)-B(2) bond lengths are 2.13 Å. There is one shorter (2.14 Å) and four longer (2.22 Å) Mn(1)-B(1) bond lengths. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 7-coordinate geometry to two equivalent Mo(1), five equivalent Mn(1), and two equivalent B(2) atoms. Both B(1)-B(2) bond lengths are 1.80 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Mo(1), two equivalent Mn(1), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.86 Å.