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Materials Data on Ce2Pd2Pb by Materials Project

Ce2Pd2Pb crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to six equivalent Pd and four equivalent Pb atoms. There are two shorter (2.93 Å) and four longer (3.08 Å) Ce–Pd bond lengths. All Ce–Pb bond lengths are 3.49 Å. Pd is bonded in a 6-coordinate geometry to six equivalent Ce, one Pd, and two equivalent Pb atoms. The Pd–Pd bond length is 2.83 Å. Both Pd–Pb bond lengths are 3.14 Å. Pb is bonded to eight equivalent Ce and four equivalent Pd atoms to form a mixture of corner and face-sharing PbCe8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ce8Pd24Pb by Materials Project

Ce8Pd24Pb crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded to twelve Pd atoms to form distorted CePd12 cuboctahedra that share corners with twelve equivalent CePd12 cuboctahedra, edges with six equivalent PdCe4Pd8 cuboctahedra, faces with three equivalent PdCe4Pd8 cuboctahedra, faces with six equivalent CePd12 cuboctahedra, and a faceface with one PbPd6 octahedra. There are a spread of Ce–Pd bond distances ranging from 3.02–3.05 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to four equivalent Ce and two equivalent Pd atoms. Both Pd–Pd bond lengths are 2.94 Å. In the second Pd site, Pd is bonded to four equivalent Ce and eight Pd atoms to form distorted PdCe4Pd8 cuboctahedra that share edges with eight equivalent CePd12 cuboctahedra, faces with four equivalent CePd12 cuboctahedra, and faces with six equivalent PdCe4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å. In the third Pd site, Pd is bonded in a 5-coordinate geometry to four equivalent Ce and one Pb atom. The Pd–Pb bond length is 2.74 Å. Pb is bonded to six equivalent Pd atoms to form PbPd6 octahedra that share faces with eight equivalent CePd12 cuboctahedra.

36 MATERIALS SCIENCE↗