Materials Data on Ce2Ga3Cu by Materials Project

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

DOI:https://doi.org/10.17188/1672888· OSTI ID:1672888

Ce2CuGa3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ce–Cu bond lengths are 2.98 Å. There are a spread of Ce–Ga bond distances ranging from 3.07–3.38 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Ce–Cu bond lengths are 3.24 Å. There are a spread of Ce–Ga bond distances ranging from 3.06–3.39 Å. Cu is bonded in a 10-coordinate geometry to six Ce and four Ga atoms. There are three shorter (2.59 Å) and one longer (3.19 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Ce and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.63 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Ce, one Cu, and three equivalent Ga 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: 1672888
• Report Number(s): mp-1226999
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-Cu-Ga
Ce2Ga3Cu
crystal structure