Materials Data on Ce3(Ge3Pd10)2 by Materials Project
Ce3Pd20Ge6 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to twelve equivalent Pd atoms to form distorted CePd12 cuboctahedra that share edges with twenty-four PdCeGe3Pd6 tetrahedra and faces with eight CePd16 tetrahedra. All Ce–Pd bond lengths are 3.09 Å. In the second Ce site, Ce is bonded to sixteen Pd atoms to form distorted CePd16 tetrahedra that share edges with six equivalent CePd16 tetrahedra, edges with twelve equivalent PdCeGe3Pd6 tetrahedra, faces with four equivalent CePd12 cuboctahedra, and faces with four equivalent PdCeGe3Pd6 tetrahedra. There are four shorter (2.87 Å) and twelve longer (3.41 Å) Ce–Pd bond lengths. In the third Ce site, Ce is bonded to sixteen Pd atoms to form distorted CePd16 tetrahedra that share edges with six equivalent CePd16 tetrahedra, edges with twelve equivalent PdCeGe3Pd6 tetrahedra, faces with four equivalent CePd12 cuboctahedra, and faces with four equivalent PdCeGe3Pd6 tetrahedra. There are four shorter (2.88 Å) and twelve longer (3.42 Å) Ce–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to one Ce, six equivalent Pd, and three equivalent Ge atoms to form PdCeGe3Pd6 tetrahedra that share corners with three equivalent PdCeGe3Pd6 tetrahedra, edges with three equivalent CePd12 cuboctahedra, edges with three equivalent CePd16 tetrahedra, edges with three equivalent PdCeGe3Pd6 tetrahedra, a faceface with one CePd16 tetrahedra, and faces with six PdCeGe3Pd6 tetrahedra. All Pd–Pd bond lengths are 3.08 Å. All Pd–Ge bond lengths are 2.54 Å. In the second Pd site, Pd is bonded in a 2-coordinate geometry to three Ce, nine Pd, and two equivalent Ge atoms. There are a spread of Pd–Pd bond distances ranging from 2.69–3.10 Å. Both Pd–Ge bond lengths are 2.49 Å. In the third Pd site, Pd is bonded to one Ce, six equivalent Pd, and three equivalent Ge atoms to form PdCeGe3Pd6 tetrahedra that share corners with three equivalent PdCeGe3Pd6 tetrahedra, edges with three equivalent CePd12 cuboctahedra, edges with three equivalent CePd16 tetrahedra, edges with three equivalent PdCeGe3Pd6 tetrahedra, a faceface with one CePd16 tetrahedra, and faces with six PdCeGe3Pd6 tetrahedra. All Pd–Ge bond lengths are 2.53 Å. Ge is bonded in a 8-coordinate geometry to eight Pd atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1281820
- Report Number(s):
- mp-672275
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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