Materials Data on CeNiGe3 by Materials Project

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

DOI:https://doi.org/10.17188/1717047· OSTI ID:1717047

CeNiGe3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ce–Ni bond lengths are 3.21 Å. There are a spread of Ce–Ge bond distances ranging from 3.12–3.26 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ce and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.33–2.38 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.94 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ce, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ce, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.49 Å.

• 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: 1717047
• Report Number(s): mp-1205748
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Ge-Ni
CeNiGe3
crystal structure