Mn4SbAs crystallizes in the tetragonal P4mm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent As(1) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to four equivalent Sb(1) and one As(1) atom. In the third Mn site, Mn(3) is bonded to one Sb(1) and four equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing MnSbAs4 square pyramids. Sb(1) is bonded in a 9-coordinate geometry to one Mn(3), four equivalent Mn(1), and four equivalent Mn(2) atoms. As(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms.
Mn4SbAs crystallizes in the tetragonal P4mm space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent As(1) atoms. Both Mn(1)-Sb(1) bond lengths are 2.62 Å. Both Mn(1)-As(1) bond lengths are 2.48 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to four equivalent Sb(1) and one As(1) atom. All Mn(2)-Sb(1) bond lengths are 2.71 Å. The Mn(2)-As(1) bond length is 2.47 Å. In the third Mn site, Mn(3) is bonded to one Sb(1) and four equivalent As(1) atoms to form a mixture of distorted edge and corner-sharing MnSbAs4 square pyramids. The Mn(3)-Sb(1) bond length is 2.62 Å. All Mn(3)-As(1) bond lengths are 2.68 Å. Sb(1) is bonded in a 9-coordinate geometry to one Mn(3), four equivalent Mn(1), and four equivalent Mn(2) atoms. As(1) is bonded in a 9-coordinate geometry to one Mn(2), four equivalent Mn(1), and four equivalent Mn(3) atoms.