V5Mn7Al4 is Heusler-like structured and crystallizes in the trigonal R3m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(2), one Mn(7), and three equivalent Mn(1) atoms. In the second V site, V(2) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(3), three equivalent Mn(2), and three equivalent Mn(5) atoms. In the third V site, V(3) is bonded in a body-centered cubic geometry to one Mn(4), one Mn(5), three equivalent Mn(3), and three equivalent Mn(6) atoms. In the fourth V site, V(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(6), three equivalent Mn(4), and three equivalent Mn(7) atoms. In the fifth V site, V(5) is bonded in a distorted body-centered cubic geometry to one V(2), three equivalent V(1), three equivalent Mn(1), three equivalent Mn(2), one Al(3), and three equivalent Al(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 V(4), three equivalent V(1), three equivalent V(5), one Al(4), and three equivalent Al(3) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent V(2), three equivalent V(5), one Al(1), and three equivalent Al(4) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(3), one Al(2), and three equivalent Al(1) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(4), one Al(3), and three equivalent Al(2) atoms. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(2), one Al(4), and three equivalent Al(1) atoms. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one V(4), three equivalent V(3), one Al(1), and three equivalent Al(2) atoms. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(4), one Al(2), and three equivalent Al(3) atoms. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(6), three equivalent Mn(3), and three equivalent Mn(5) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to one Mn(3), one Mn(7), three equivalent Mn(4), and three equivalent Mn(6) atoms. In the third Al site, Al(3) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(4), three equivalent Mn(1), and three equivalent Mn(7) atoms. In the fourth Al site, Al(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(1), one Mn(5), and three equivalent Mn(2) atoms.
V5Mn7Al4 is Heusler-like structured and crystallizes in the trigonal R3m space group. There are five inequivalent V sites. In the first V site, V(1) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(2), one Mn(7), and three equivalent Mn(1) atoms. All V(1)-V(5) bond lengths are 2.54 Å. The V(1)-Mn(2) bond length is 2.56 Å. The V(1)-Mn(7) bond length is 2.53 Å. All V(1)-Mn(1) bond lengths are 2.54 Å. In the second V site, V(2) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(3), three equivalent Mn(2), and three equivalent Mn(5) atoms. The V(2)-V(5) bond length is 2.53 Å. The V(2)-Mn(3) bond length is 2.53 Å. All V(2)-Mn(2) bond lengths are 2.53 Å. All V(2)-Mn(5) bond lengths are 2.53 Å. In the third V site, V(3) is bonded in a body-centered cubic geometry to one Mn(4), one Mn(5), three equivalent Mn(3), and three equivalent Mn(6) atoms. The V(3)-Mn(4) bond length is 2.52 Å. The V(3)-Mn(5) bond length is 2.53 Å. All V(3)-Mn(3) bond lengths are 2.53 Å. All V(3)-Mn(6) bond lengths are 2.53 Å. In the fourth V site, V(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(6), three equivalent Mn(4), and three equivalent Mn(7) atoms. The V(4)-Mn(1) bond length is 2.51 Å. The V(4)-Mn(6) bond length is 2.53 Å. All V(4)-Mn(4) bond lengths are 2.53 Å. All V(4)-Mn(7) bond lengths are 2.53 Å. In the fifth V site, V(5) is bonded in a distorted body-centered cubic geometry to one V(2), three equivalent V(1), three equivalent Mn(1), three equivalent Mn(2), one Al(3), and three equivalent Al(4) atoms. All V(5)-Mn(1) bond lengths are 2.94 Å. All V(5)-Mn(2) bond lengths are 2.93 Å. The V(5)-Al(3) bond length is 2.56 Å. All V(5)-Al(4) bond lengths are 2.53 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 V(4), three equivalent V(1), three equivalent V(5), one Al(4), and three equivalent Al(3) atoms. The Mn(1)-Al(4) bond length is 2.57 Å. All Mn(1)-Al(3) bond lengths are 2.53 Å. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one V(1), three equivalent V(2), three equivalent V(5), one Al(1), and three equivalent Al(4) atoms. The Mn(2)-Al(1) bond length is 2.52 Å. All Mn(2)-Al(4) bond lengths are 2.53 Å. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one V(2), three equivalent V(3), one Al(2), and three equivalent Al(1) atoms. The Mn(3)-Al(2) bond length is 2.52 Å. All Mn(3)-Al(1) bond lengths are 2.53 Å. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(4), one Al(3), and three equivalent Al(2) atoms. The Mn(4)-Al(3) bond length is 2.52 Å. All Mn(4)-Al(2) bond lengths are 2.53 Å. In the fifth Mn site, Mn(5) is bonded in a body-centered cubic geometry to one V(3), three equivalent V(2), one Al(4), and three equivalent Al(1) atoms. The Mn(5)-Al(4) bond length is 2.52 Å. All Mn(5)-Al(1) bond lengths are 2.53 Å. In the sixth Mn site, Mn(6) is bonded in a body-centered cubic geometry to one V(4), three equivalent V(3), one Al(1), and three equivalent Al(2) atoms. The Mn(6)-Al(1) bond length is 2.52 Å. All Mn(6)-Al(2) bond lengths are 2.53 Å. In the seventh Mn site, Mn(7) is bonded in a body-centered cubic geometry to one V(1), three equivalent V(4), one Al(2), and three equivalent Al(3) atoms. The Mn(7)-Al(2) bond length is 2.52 Å. All Mn(7)-Al(3) bond lengths are 2.53 Å. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to one Mn(2), one Mn(6), three equivalent Mn(3), and three equivalent Mn(5) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to one Mn(3), one Mn(7), three equivalent Mn(4), and three equivalent Mn(6) atoms. In the third Al site, Al(3) is bonded in a distorted body-centered cubic geometry to one V(5), one Mn(4), three equivalent Mn(1), and three equivalent Mn(7) atoms. In the fourth Al site, Al(4) is bonded in a distorted body-centered cubic geometry to three equivalent V(5), one Mn(1), one Mn(5), and three equivalent Mn(2) atoms.