Ce3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 13-coordinate geometry to one Pd(3), one Pd(4), three equivalent Pd(1), three equivalent Pd(2), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to two equivalent Pd(1), two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(2), two equivalent Sb(1), and four equivalent Sb(2) atoms. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(1), one Sb(3), and three equivalent Sb(2) atoms. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), one Pd(3), one Sb(2), and three equivalent Sb(1) atoms. In the third Pd site, Pd(3) is bonded in a distorted q6 geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Pd(2), and four equivalent Sb(1) atoms. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(2), and two equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Pd(3), and three equivalent Pd(2) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(4), and three equivalent Pd(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Ce(1), two equivalent Pd(1), and two equivalent Pd(4) atoms.
Ce3Pd6Sb5 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 13-coordinate geometry to one Pd(3), one Pd(4), three equivalent Pd(1), three equivalent Pd(2), two equivalent Sb(1), two equivalent Sb(2), and two equivalent Sb(3) atoms. The Ce(1)-Pd(3) bond length is 3.34 Å. The Ce(1)-Pd(4) bond length is 3.33 Å. There are two shorter (3.31 Å) and one longer (3.46 Å) Ce(1)-Pd(1) bond length. There are two shorter (3.33 Å) and one longer (3.66 Å) Ce(1)-Pd(2) bond length. Both Ce(1)-Sb(1) bond lengths are 3.30 Å. Both Ce(1)-Sb(2) bond lengths are 3.34 Å. Both Ce(1)-Sb(3) bond lengths are 3.33 Å. In the second Ce site, Ce(2) is bonded in a 16-coordinate geometry to two equivalent Pd(1), two equivalent Pd(3), two equivalent Pd(4), four equivalent Pd(2), two equivalent Sb(1), and four equivalent Sb(2) atoms. Both Ce(2)-Pd(1) bond lengths are 3.33 Å. Both Ce(2)-Pd(3) bond lengths are 3.58 Å. Both Ce(2)-Pd(4) bond lengths are 3.42 Å. All Ce(2)-Pd(2) bond lengths are 3.67 Å. Both Ce(2)-Sb(1) bond lengths are 3.32 Å. All Ce(2)-Sb(2) bond lengths are 3.34 Å. There are four inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to one Ce(2), three equivalent Ce(1), one Sb(3), and three equivalent Sb(2) atoms. The Pd(1)-Sb(3) bond length is 2.70 Å. There are two shorter (2.67 Å) and one longer (2.71 Å) Pd(1)-Sb(2) bond length. In the second Pd site, Pd(2) is bonded in a 10-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), one Pd(3), one Sb(2), and three equivalent Sb(1) atoms. The Pd(2)-Pd(3) bond length is 2.77 Å. The Pd(2)-Sb(2) bond length is 2.62 Å. There are two shorter (2.68 Å) and one longer (2.72 Å) Pd(2)-Sb(1) bond length. In the third Pd site, Pd(3) is bonded in a distorted q6 geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Pd(2), and four equivalent Sb(1) atoms. All Pd(3)-Sb(1) bond lengths are 2.83 Å. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), two equivalent Sb(2), and two equivalent Sb(3) atoms. Both Pd(4)-Sb(2) bond lengths are 2.71 Å. Both Pd(4)-Sb(3) bond lengths are 2.73 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Ce(2), two equivalent Ce(1), two equivalent Pd(3), and three equivalent Pd(2) atoms. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), one Pd(2), one Pd(4), and three equivalent Pd(1) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to four equivalent Ce(1), two equivalent Pd(1), and two equivalent Pd(4) atoms.