Materials Data on TmNiGe2 by Materials Project

Dataset · Sat May 02 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1693075· OSTI ID:1693075

TmNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.09 Å) and two longer (3.17 Å) Tm–Ni bond lengths. There are a spread of Tm–Ge bond distances ranging from 2.87–2.92 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Tm–Ni bond lengths are 3.12 Å. There are a spread of Tm–Ge bond distances ranging from 3.14–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Tm and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.44 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Tm, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tm, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.50 Å.

• 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: 1693075
• Report Number(s): mp-1207716
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ni-Tm
TmNiGe2
crystal structure