Materials Data on Ce(AlGe)2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1286597· OSTI ID:1286597

Ce(AlGe)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ce is bonded to six equivalent Ge atoms to form distorted CeGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent CeGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Ce–Ge bond lengths are 3.07 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent CeGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent CeGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. There are three shorter (2.56 Å) and one longer (2.60 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Ce and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeCe3Al4 pentagonal bipyramids.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1286597
• Report Number(s): mp-7101
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ce-Ge
Ce(AlGe)2
crystal structure