Mn2Pd3Sn is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(3); and four Pd(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six Pd(2,2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), and four equivalent Sn(1) atoms. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. In the fourth Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), three equivalent Pd(3), and four equivalent Pd(1) atoms.
Mn2Pd3Sn is Heusler-like structured and crystallizes in the trigonal P-3m1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(3) and six equivalent Pd(1) atoms. Both Mn(1)-Pd(3) bond lengths are 2.80 Å. All Mn(1)-Pd(1) bond lengths are 2.75 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(3); and four Pd(2,2) atoms. The Mn(2)-Pd(1) bond length is 2.82 Å. All Mn(2)-Pd(3) bond lengths are 2.76 Å. There is one shorter (2.66 Å) and three longer (2.72 Å) Mn(2)-Pd(2,2) bond lengths. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Pd(3) and six Pd(2,2) atoms. Both Mn(3)-Pd(3) bond lengths are 2.70 Å. All Mn(3)-Pd(2,2) bond lengths are 2.74 Å. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), and four equivalent Sn(1) atoms. There are three shorter (2.74 Å) and one longer (2.79 Å) Pd(1)-Sn(1) bond length. In the second Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. The Pd(2)-Sn(1) bond length is 2.75 Å. In the third Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. All Pd(3)-Sn(1) bond lengths are 2.76 Å. In the fourth Pd site, Pd(2) is bonded in a body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. The Pd(2)-Sn(1) bond length is 2.75 Å. Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), three equivalent Pd(3), and four equivalent Pd(1) atoms.