Mn3Pd5Sn2 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 body-centered cubic geometry to one Pd(3), one Pd(5), three equivalent Pd(1), and three equivalent Pd(2) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Pd(2) and six equivalent Pd(3) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(5); and four Pd(4,4) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Pd(5) and six Pd(4,4) atoms. There are seven inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), and four equivalent Sn(2) atoms. In the second Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. In the third Pd site, Pd(5) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(3), and three equivalent Sn(1) atoms. In the fourth Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. In the fifth Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. In the sixth Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), one Sn(2), and three equivalent Sn(1) atoms. In the seventh Pd site, Pd(2) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sn(1), and three equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), one Pd(4), three equivalent Pd(1), and three equivalent Pd(5) atoms. In the second Sn site, Sn(2) is bonded in a distorted body-centered cubic geometry to one Pd(1), three equivalent Pd(2), and four equivalent Pd(3) atoms.
Mn3Pd5Sn2 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 body-centered cubic geometry to one Pd(3), one Pd(5), three equivalent Pd(1), and three equivalent Pd(2) atoms. The Mn(1)-Pd(3) bond length is 2.78 Å. The Mn(1)-Pd(5) bond length is 2.81 Å. All Mn(1)-Pd(1) bond lengths are 2.77 Å. All Mn(1)-Pd(2) bond lengths are 2.77 Å. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Pd(2) and six equivalent Pd(3) atoms. Both Mn(2)-Pd(2) bond lengths are 2.78 Å. All Mn(2)-Pd(3) bond lengths are 2.77 Å. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Pd(1); three equivalent Pd(5); and four Pd(4,4) atoms. The Mn(3)-Pd(1) bond length is 2.81 Å. All Mn(3)-Pd(5) bond lengths are 2.78 Å. There is one shorter (2.71 Å) and three longer (2.77 Å) Mn(3)-Pd(4,4) bond lengths. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Pd(5) and six Pd(4,4) atoms. Both Mn(4)-Pd(5) bond lengths are 2.75 Å. All Mn(4)-Pd(4,4) bond lengths are 2.76 Å. There are seven inequivalent Pd sites. In the first Pd site, Pd(3) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), and four equivalent Sn(2) atoms. All Pd(3)-Sn(2) bond lengths are 2.77 Å. In the second Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. The Pd(4)-Sn(1) bond length is 2.80 Å. In the third Pd site, Pd(5) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(3), and three equivalent Sn(1) atoms. All Pd(5)-Sn(1) bond lengths are 2.78 Å. In the fourth Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. The Pd(4)-Sn(1) bond length is 2.80 Å. In the fifth Pd site, Pd(4) is bonded in a body-centered cubic geometry to three equivalent Mn(4), four equivalent Mn(3), and one Sn(1) atom. All Pd(4)-Mn(4) bond lengths are 2.76 Å. There is one shorter (2.71 Å) and three longer (2.77 Å) Pd(4)-Mn(3) bond lengths. The Pd(4)-Sn(1) bond length is 2.80 Å. In the sixth Pd site, Pd(1) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(1), one Sn(2), and three equivalent Sn(1) atoms. The Pd(1)-Sn(2) bond length is 2.78 Å. All Pd(1)-Sn(1) bond lengths are 2.78 Å. In the seventh Pd site, Pd(2) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sn(1), and three equivalent Sn(2) atoms. The Pd(2)-Sn(1) bond length is 2.79 Å. All Pd(2)-Sn(2) bond lengths are 2.77 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted body-centered cubic geometry to one Pd(2), one Pd(4), three equivalent Pd(1), and three equivalent Pd(5) atoms. In the second Sn site, Sn(2) is bonded in a distorted body-centered cubic geometry to one Pd(1), three equivalent Pd(2), and four equivalent Pd(3) atoms.