Materials Data on TbGe2Ir by Materials Project

Dataset · Fri Jul 17 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1193326· OSTI ID:1193326

TbIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are four shorter (3.25 Å) and two longer (3.28 Å) Tb–Ir bond lengths. There are a spread of Tb–Ge bond distances ranging from 2.96–3.51 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Tb–Ir bond lengths are 3.19 Å. There are a spread of Tb–Ge bond distances ranging from 3.27–3.42 Å. Ir is bonded in a 10-coordinate geometry to five Tb and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.48–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four Tb, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.74 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Tb, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to five Tb and two equivalent Ir 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: 1193326
• Report Number(s): mp-18667
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ir-Tb
TbGe2Ir
crystal structure