Nd3Au6Sn5 is beta Plutonium-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 14-coordinate geometry to two equivalent Au(1), two equivalent Au(2), four equivalent Au(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to one Au(2), one Au(4), two equivalent Au(3), three equivalent Au(1), two equivalent Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Nd(1), three equivalent Nd(2), two equivalent Au(2), one Sn(3), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), four equivalent Au(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. In the third Au site, Au(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Au(4), one Sn(2), and three equivalent Sn(1) atoms. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Nd(2), two equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Nd(1), three equivalent Nd(2), two equivalent Au(4), three equivalent Au(3), and one Sn(3) atom. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Au(2), one Au(3), and three equivalent Au(1) atoms. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Nd(2), two equivalent Au(1), two equivalent Au(2), two equivalent Au(4), and two equivalent Sn(1) atoms.
Nd3Au6Sn5 is beta Plutonium-derived structured and crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 14-coordinate geometry to two equivalent Au(1), two equivalent Au(2), four equivalent Au(3), two equivalent Sn(1), and four equivalent Sn(2) atoms. Both Nd(1)-Au(1) bond lengths are 3.43 Å. Both Nd(1)-Au(2) bond lengths are 3.74 Å. All Nd(1)-Au(3) bond lengths are 3.47 Å. Both Nd(1)-Sn(1) bond lengths are 3.51 Å. All Nd(1)-Sn(2) bond lengths are 3.47 Å. In the second Nd site, Nd(2) is bonded in a 14-coordinate geometry to one Au(2), one Au(4), two equivalent Au(3), three equivalent Au(1), two equivalent Sn(2), two equivalent Sn(3), and three equivalent Sn(1) atoms. The Nd(2)-Au(2) bond length is 3.35 Å. The Nd(2)-Au(4) bond length is 3.24 Å. Both Nd(2)-Au(3) bond lengths are 3.42 Å. There are two shorter (3.30 Å) and one longer (3.65 Å) Nd(2)-Au(1) bond length. Both Nd(2)-Sn(2) bond lengths are 3.36 Å. Both Nd(2)-Sn(3) bond lengths are 3.46 Å. There are two shorter (3.38 Å) and one longer (3.71 Å) Nd(2)-Sn(1) bond length. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 10-coordinate geometry to one Nd(1), three equivalent Nd(2), two equivalent Au(2), one Sn(3), and three equivalent Sn(2) atoms. Both Au(1)-Au(2) bond lengths are 3.04 Å. The Au(1)-Sn(3) bond length is 2.89 Å. There are two shorter (2.77 Å) and one longer (2.84 Å) Au(1)-Sn(2) bond length. In the second Au site, Au(2) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), four equivalent Au(1), two equivalent Sn(2), and two equivalent Sn(3) atoms. Both Au(2)-Sn(2) bond lengths are 2.79 Å. Both Au(2)-Sn(3) bond lengths are 3.03 Å. In the third Au site, Au(3) is bonded in a 4-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Au(4), one Sn(2), and three equivalent Sn(1) atoms. The Au(3)-Au(4) bond length is 2.92 Å. The Au(3)-Sn(2) bond length is 2.68 Å. There are two shorter (2.77 Å) and one longer (2.91 Å) Au(3)-Sn(1) bond length. In the fourth Au site, Au(4) is bonded in a 10-coordinate geometry to two equivalent Nd(2), two equivalent Au(3), two equivalent Sn(3), and four equivalent Sn(1) atoms. Both Au(4)-Sn(3) bond lengths are 3.15 Å. All Au(4)-Sn(1) bond lengths are 3.07 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to one Nd(1), three equivalent Nd(2), two equivalent Au(4), three equivalent Au(3), and one Sn(3) atom. The Sn(1)-Sn(3) bond length is 3.23 Å. In the second Sn site, Sn(2) is bonded in a 5-coordinate geometry to two equivalent Nd(1), two equivalent Nd(2), one Au(2), one Au(3), and three equivalent Au(1) atoms. In the third Sn site, Sn(3) is bonded in a 12-coordinate geometry to four equivalent Nd(2), two equivalent Au(1), two equivalent Au(2), two equivalent Au(4), and two equivalent Sn(1) atoms.