Materials Data on CeAlGe by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1666514· OSTI ID:1666514

CeAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six Al and six equivalent Ge atoms to form a mixture of face and edge-sharing CeAl6Ge6 cuboctahedra. There are two shorter (3.25 Å) and four longer (3.26 Å) Ce–Al bond lengths. There are four shorter (3.25 Å) and two longer (3.27 Å) Ce–Ge bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Ge atoms. There are two shorter (2.46 Å) and one longer (2.47 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Ge atoms. There are two shorter (3.25 Å) and four longer (3.26 Å) Al–Ce bond lengths. There are two shorter (2.46 Å) and one longer (2.47 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Ge atoms. There are two shorter (2.46 Å) and one longer (2.47 Å) Al–Ge bond lengths. Ge is bonded in a distorted trigonal planar geometry to six equivalent Ce and three Al atoms.

• 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: 1666514
• Report Number(s): mp-1206928
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Al-Ce-Ge
CeAlGe
crystal structure