Materials Data on Ce2CuGe3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1754023· OSTI ID:1754023

Ce2CuGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded to three equivalent Cu and nine Ge atoms to form a mixture of edge and face-sharing CeCu3Ge9 cuboctahedra. All Ce–Cu bond lengths are 3.16 Å. There are three shorter (3.16 Å) and six longer (3.18 Å) Ce–Ge bond lengths. Cu is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Cu–Ge bond lengths are 2.47 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.47 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cu atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Ge 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: 1754023
• Report Number(s): mp-1226816
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Cu-Ge
Ce2CuGe3
crystal structure