Materials Data on YbGa2Ge3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1274071· OSTI ID:1274071

YbGa2Ge3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to six Ga and seven Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.09–3.55 Å. There are a spread of Yb–Ge bond distances ranging from 3.11–3.23 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to six Ga and nine Ge atoms. There are a spread of Yb–Ga bond distances ranging from 3.16–3.58 Å. There are a spread of Yb–Ge bond distances ranging from 3.06–3.68 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two Yb and four Ge atoms. There are three shorter (2.50 Å) and one longer (2.53 Å) Ga–Ge bond lengths. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four equivalent Yb and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.50–2.61 Å. In the third Ga site, Ga is bonded in a 4-coordinate geometry to three Yb and four Ge atoms. There are three shorter (2.55 Å) and one longer (2.60 Å) Ga–Ge bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Yb and four Ge atoms. There are a spread of Ga–Ge bond distances ranging from 2.50–2.57 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Yb, two Ga, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, one Ga, and three Ge atoms. The Ge–Ge bond length is 2.59 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three Yb, three Ga, and one Ge atom. In the fourth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb, three Ga, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Yb and four Ga atoms. In the sixth Ge site, Ge is bonded in a 3-coordinate geometry to three equivalent Yb, three Ga, and one Ge atom.

• 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: 1274071
• Report Number(s): mp-567831
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ga-Ge-Yb
YbGa2Ge3
crystal structure