Ce3Pd4Sn6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 15-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), one Sn(5), one Sn(6), two equivalent Sn(3), two equivalent Sn(4), and three equivalent Sn(2) atoms. In the second Ce site, Ce(2) is bonded in a 15-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Sn(1), one Sn(2), one Sn(6), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. In the third Ce site, Ce(3) is bonded in a 15-coordinate geometry to one Pd(3), two equivalent Pd(1), three equivalent Pd(4), one Sn(3), one Sn(5), two equivalent Sn(4), two equivalent Sn(6), and three equivalent Sn(1) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), one Sn(2), one Sn(4), one Sn(6), and two equivalent Sn(5) atoms. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Sn(3), one Sn(5), and three equivalent Sn(2) atoms. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(6) atoms. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(3), one Sn(3), one Sn(4), and three equivalent Sn(1) atoms. There are six inequivalent Sn sites. In the first Sn site, Sn(6) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), two equivalent Ce(3), one Pd(1), two equivalent Pd(3), and one Sn(1) atom. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(3), three equivalent Pd(4), and one Sn(6) atom. In the third Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Ce(2), three equivalent Ce(1), one Pd(1), and three equivalent Pd(2) atoms. In the fourth Sn site, Sn(3) is bonded in a distorted trigonal planar geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(3), and one Pd(4) atom. In the fifth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Pd(1), one Pd(3), and one Pd(4) atom. In the sixth Sn site, Sn(5) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), one Pd(2), one Pd(3), and two equivalent Pd(1) atoms.
Ce3Pd4Sn6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 15-coordinate geometry to two equivalent Pd(1), two equivalent Pd(2), two equivalent Pd(3), one Sn(5), one Sn(6), two equivalent Sn(3), two equivalent Sn(4), and three equivalent Sn(2) atoms. Both Ce(1)-Pd(1) bond lengths are 3.42 Å. Both Ce(1)-Pd(2) bond lengths are 3.47 Å. Both Ce(1)-Pd(3) bond lengths are 3.52 Å. The Ce(1)-Sn(5) bond length is 3.55 Å. The Ce(1)-Sn(6) bond length is 3.52 Å. Both Ce(1)-Sn(3) bond lengths are 3.63 Å. Both Ce(1)-Sn(4) bond lengths are 3.45 Å. There is one shorter (3.48 Å) and two longer (3.75 Å) Ce(1)-Sn(2) bond lengths. In the second Ce site, Ce(2) is bonded in a 15-coordinate geometry to two equivalent Pd(2), two equivalent Pd(3), two equivalent Pd(4), one Sn(1), one Sn(2), one Sn(6), two equivalent Sn(3), two equivalent Sn(4), and two equivalent Sn(5) atoms. Both Ce(2)-Pd(2) bond lengths are 3.59 Å. Both Ce(2)-Pd(3) bond lengths are 3.67 Å. Both Ce(2)-Pd(4) bond lengths are 3.49 Å. The Ce(2)-Sn(1) bond length is 3.55 Å. The Ce(2)-Sn(2) bond length is 3.49 Å. The Ce(2)-Sn(6) bond length is 3.57 Å. Both Ce(2)-Sn(3) bond lengths are 3.71 Å. Both Ce(2)-Sn(4) bond lengths are 3.43 Å. Both Ce(2)-Sn(5) bond lengths are 3.40 Å. In the third Ce site, Ce(3) is bonded in a 15-coordinate geometry to one Pd(3), two equivalent Pd(1), three equivalent Pd(4), one Sn(3), one Sn(5), two equivalent Sn(4), two equivalent Sn(6), and three equivalent Sn(1) atoms. The Ce(3)-Pd(3) bond length is 3.58 Å. Both Ce(3)-Pd(1) bond lengths are 3.33 Å. There are two shorter (3.42 Å) and one longer (3.56 Å) Ce(3)-Pd(4) bond length. The Ce(3)-Sn(3) bond length is 3.71 Å. The Ce(3)-Sn(5) bond length is 3.33 Å. Both Ce(3)-Sn(4) bond lengths are 3.32 Å. Both Ce(3)-Sn(6) bond lengths are 3.34 Å. There are two shorter (3.27 Å) and one longer (3.32 Å) Ce(3)-Sn(1) bond length. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(3), one Sn(2), one Sn(4), one Sn(6), and two equivalent Sn(5) atoms. The Pd(1)-Sn(2) bond length is 2.68 Å. The Pd(1)-Sn(4) bond length is 2.69 Å. The Pd(1)-Sn(6) bond length is 2.76 Å. Both Pd(1)-Sn(5) bond lengths are 2.73 Å. In the second Pd site, Pd(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Sn(3), one Sn(5), and three equivalent Sn(2) atoms. The Pd(2)-Sn(3) bond length is 2.59 Å. The Pd(2)-Sn(5) bond length is 2.73 Å. All Pd(2)-Sn(2) bond lengths are 2.72 Å. In the third Pd site, Pd(3) is bonded in a 5-coordinate geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), one Sn(3), one Sn(4), one Sn(5), and two equivalent Sn(6) atoms. The Pd(3)-Sn(3) bond length is 2.72 Å. The Pd(3)-Sn(4) bond length is 2.63 Å. The Pd(3)-Sn(5) bond length is 2.75 Å. Both Pd(3)-Sn(6) bond lengths are 2.62 Å. In the fourth Pd site, Pd(4) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(3), one Sn(3), one Sn(4), and three equivalent Sn(1) atoms. The Pd(4)-Sn(3) bond length is 2.71 Å. The Pd(4)-Sn(4) bond length is 2.69 Å. There are two shorter (2.65 Å) and one longer (2.84 Å) Pd(4)-Sn(1) bond length. There are six inequivalent Sn sites. In the first Sn site, Sn(6) is bonded in a 3-coordinate geometry to one Ce(1), one Ce(2), two equivalent Ce(3), one Pd(1), two equivalent Pd(3), and one Sn(1) atom. The Sn(6)-Sn(1) bond length is 3.05 Å. In the second Sn site, Sn(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(3), three equivalent Pd(4), and one Sn(6) atom. In the third Sn site, Sn(2) is bonded in a 4-coordinate geometry to one Ce(2), three equivalent Ce(1), one Pd(1), and three equivalent Pd(2) atoms. In the fourth Sn site, Sn(3) is bonded in a distorted trigonal planar geometry to one Ce(3), two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(3), and one Pd(4) atom. In the fifth Sn site, Sn(4) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Ce(3), one Pd(1), one Pd(3), and one Pd(4) atom. In the sixth Sn site, Sn(5) is bonded in a 8-coordinate geometry to one Ce(1), one Ce(3), two equivalent Ce(2), one Pd(2), one Pd(3), and two equivalent Pd(1) atoms.