Mn7Ni8Sn is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to one Ni(4), three equivalent Ni(1), four equivalent Ni(3), and three equivalent Sn(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Ni(1); three equivalent Ni(4); and four Ni(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Ni(2), one Ni(3), three equivalent Ni(1), and three equivalent Ni(4) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Ni(4) and six Ni(2,2) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the third Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), three equivalent Mn(3), and one Sn(1) atom. In the fifth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the sixth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the seventh Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(2), and three equivalent Mn(3) atoms. In the eighth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the ninth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two equivalent Ni(1); and six Ni(3,3) atoms.
Mn7Ni8Sn is Heusler-like structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 8-coordinate geometry to one Ni(4), three equivalent Ni(1), four equivalent Ni(3), and three equivalent Sn(1) atoms. The Mn(1)-Ni(4) bond length is 2.51 Å. All Mn(1)-Ni(1) bond lengths are 2.55 Å. There are three shorter (2.51 Å) and one longer (2.81 Å) Mn(1)-Ni(3) bond length. All Mn(1)-Sn(1) bond lengths are 2.99 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Ni(1); three equivalent Ni(4); and four Ni(2,2) atoms. The Mn(2)-Ni(1) bond length is 2.49 Å. All Mn(2)-Ni(4) bond lengths are 2.54 Å. There is one shorter (2.51 Å) and three longer (2.53 Å) Mn(2)-Ni(2,2) bond lengths. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Ni(2), one Ni(3), three equivalent Ni(1), and three equivalent Ni(4) atoms. The Mn(3)-Ni(2) bond length is 2.50 Å. The Mn(3)-Ni(3) bond length is 2.48 Å. All Mn(3)-Ni(1) bond lengths are 2.53 Å. All Mn(3)-Ni(4) bond lengths are 2.52 Å. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Ni(4) and six Ni(2,2) atoms. Both Mn(4)-Ni(4) bond lengths are 2.54 Å. All Mn(4)-Ni(2,2) bond lengths are 2.53 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. The Ni(3)-Mn(3) bond length is 2.48 Å. There are three shorter (2.51 Å) and one longer (2.81 Å) Ni(3)-Mn(1) bond length. All Ni(3)-Sn(1) bond lengths are 2.60 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. The Ni(2)-Mn(3) bond length is 2.50 Å. All Ni(2)-Mn(4) bond lengths are 2.53 Å. There is one shorter (2.51 Å) and three longer (2.53 Å) Ni(2)-Mn(2) bond lengths. In the third Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. The Ni(2)-Mn(3) bond length is 2.50 Å. All Ni(2)-Mn(4) bond lengths are 2.53 Å. There is one shorter (2.51 Å) and three longer (2.53 Å) Ni(2)-Mn(2) bond lengths. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), three equivalent Mn(3), and one Sn(1) atom. The Ni(1)-Sn(1) bond length is 2.67 Å. In the fifth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. The Ni(2)-Mn(3) bond length is 2.50 Å. In the sixth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. All Ni(3)-Sn(1) bond lengths are 2.60 Å. In the seventh Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(2), and three equivalent Mn(3) atoms. In the eighth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the ninth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. The Ni(3)-Mn(3) bond length is 2.48 Å. There are three shorter (2.51 Å) and one longer (2.81 Å) Ni(3)-Mn(1) bond length. All Ni(3)-Sn(1) bond lengths are 2.60 Å. Sn(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two equivalent Ni(1); and six Ni(3,3) atoms.