V3Mn9Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(4), three equivalent Mn(1), and three equivalent Mn(3) atoms. In the second V site, V(2) is bonded in a body-centered cubic geometry to two equivalent Mn(1) and six equivalent Mn(2) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(1), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(2), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one Mn(5), one Al(1), and three equivalent Al(2) atoms. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. In the sixth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3); six Mn(4,4); and six equivalent Al(2) atoms. In the seventh Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), and four equivalent Mn(2) atoms. In the second Al site, Al(2) is bonded in a distorted body-centered cubic geometry to one Mn(1); three equivalent Mn(3); three equivalent Mn(5); and four Mn(4,4) atoms.
V3Mn9Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(4), three equivalent Mn(1), and three equivalent Mn(3) atoms. The V(1)-Mn(2) bond length is 2.53 Å. The V(1)-Mn(4) bond length is 2.51 Å. All V(1)-Mn(1) bond lengths are 2.52 Å. All V(1)-Mn(3) bond lengths are 2.51 Å. In the second V site, V(2) is bonded in a body-centered cubic geometry to two equivalent Mn(1) and six equivalent Mn(2) atoms. Both V(2)-Mn(1) bond lengths are 2.51 Å. All V(2)-Mn(2) bond lengths are 2.52 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(1), one Al(2), and three equivalent Al(1) atoms. The Mn(1)-Al(2) bond length is 2.54 Å. All Mn(1)-Al(1) bond lengths are 2.52 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(2), and four equivalent Al(1) atoms. All Mn(2)-Al(1) bond lengths are 2.52 Å. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one Mn(5), one Al(1), and three equivalent Al(2) atoms. The Mn(3)-Mn(5) bond length is 2.50 Å. The Mn(3)-Al(1) bond length is 2.52 Å. All Mn(3)-Al(2) bond lengths are 2.52 Å. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. All Mn(4)-Mn(5) bond lengths are 2.51 Å. There is one shorter (2.49 Å) and three longer (2.51 Å) Mn(4)-Al(2) bond lengths. In the fifth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. The Mn(4)-V(1) bond length is 2.51 Å. All Mn(4)-Mn(5) bond lengths are 2.51 Å. There is one shorter (2.49 Å) and three longer (2.51 Å) Mn(4)-Al(2) bond lengths. In the sixth Mn site, Mn(5) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(3); six Mn(4,4); and six equivalent Al(2) atoms. All Mn(5)-Al(2) bond lengths are 2.89 Å. In the seventh Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), and four equivalent Al(2) atoms. The Mn(4)-V(1) bond length is 2.51 Å. All Mn(4)-Mn(5) bond lengths are 2.51 Å. There is one shorter (2.49 Å) and three longer (2.51 Å) Mn(4)-Al(2) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), and four equivalent Mn(2) atoms. In the second Al site, Al(2) is bonded in a distorted body-centered cubic geometry to one Mn(1); three equivalent Mn(3); three equivalent Mn(5); and four Mn(4,4) atoms.