Materials Data on Tb2Ga3Cu by Materials Project

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

DOI:https://doi.org/10.17188/1710464· OSTI ID:1710464

Tb2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Tb–Cu bond lengths are 2.90 Å. There are a spread of Tb–Ga bond distances ranging from 2.99–3.40 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Tb–Cu bond lengths are 3.22 Å. There are six shorter (2.97 Å) and three longer (3.38 Å) Tb–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Tb and four Ga atoms. There are three shorter (2.57 Å) and one longer (3.00 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 Tb, three equivalent Cu, and one Ga atom. The Ga–Ga bond length is 3.11 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to six Tb and four Ga atoms. All Ga–Ga bond lengths are 2.62 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Tb, 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: 1710464
• Report Number(s): mp-1217694
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Ga-Tb
Tb2Ga3Cu
crystal structure