VMn11Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. V(1) is bonded in a body-centered cubic geometry to two equivalent Mn(3) and six equivalent Mn(4) atoms. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Mn(6), three equivalent Mn(5), one Al(2), and three equivalent Al(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent 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 three equivalent V(1), one Mn(5), and four equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Mn(3), three equivalent Al(1), and three equivalent Al(2) atoms. In the sixth Mn site, Mn(6) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Al(1) atoms. In the seventh Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(5), three equivalent Mn(6), 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 equivalent Mn(4) atoms.
VMn11Al4 is Heusler-like structured and crystallizes in the trigonal R-3m space group. V(1) is bonded in a body-centered cubic geometry to two equivalent Mn(3) and six equivalent Mn(4) atoms. Both V(1)-Mn(3) bond lengths are 2.49 Å. All V(1)-Mn(4) bond lengths are 2.49 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Mn(6), three equivalent Mn(5), one Al(2), and three equivalent Al(1) atoms. The Mn(1)-Mn(6) bond length is 2.47 Å. All Mn(1)-Mn(5) bond lengths are 2.47 Å. The Mn(1)-Al(2) bond length is 2.47 Å. All Mn(1)-Al(1) bond lengths are 2.48 Å. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. The Mn(2)-Mn(5) bond length is 2.45 Å. All Mn(2)-Mn(6) bond lengths are 2.48 Å. There is one shorter (2.46 Å) and three longer (2.49 Å) Mn(2)-Al(1) bond lengths. In the third Mn site, Mn(3) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent Mn(5), one Al(1), and three equivalent Al(2) atoms. All Mn(3)-Mn(5) bond lengths are 2.49 Å. The Mn(3)-Al(1) bond length is 2.47 Å. All Mn(3)-Al(2) bond lengths are 2.48 Å. In the fourth Mn site, Mn(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(1), one Mn(5), and four equivalent Al(2) atoms. The Mn(4)-Mn(5) bond length is 2.50 Å. There are three shorter (2.48 Å) and one longer (2.53 Å) Mn(4)-Al(2) bond length. In the fifth Mn site, Mn(5) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), three equivalent Mn(1), three equivalent Mn(3), three equivalent Al(1), and three equivalent Al(2) atoms. All Mn(5)-Al(1) bond lengths are 2.84 Å. All Mn(5)-Al(2) bond lengths are 2.88 Å. In the sixth Mn site, Mn(6) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), six equivalent Mn(2), and six equivalent Al(1) atoms. All Mn(6)-Al(1) bond lengths are 2.87 Å. In the seventh Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Mn(5), three equivalent Mn(6), and four equivalent Al(1) atoms. The Mn(2)-Mn(5) bond length is 2.45 Å. All Mn(2)-Mn(6) bond lengths are 2.48 Å. There is one shorter (2.46 Å) and three longer (2.49 Å) Mn(2)-Al(1) bond lengths. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted body-centered cubic geometry to one Mn(3), three equivalent Mn(1), three equivalent Mn(5), three equivalent Mn(6), 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 equivalent Mn(4) atoms.