Materials Data on Tm4In(NiGe2)2 by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189636· OSTI ID:1189636

Tm4In(NiGe2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to one Ni, two equivalent In, and five Ge atoms. The Tm–Ni bond length is 2.98 Å. Both Tm–In bond lengths are 3.32 Å. There are a spread of Tm–Ge bond distances ranging from 2.88–3.02 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to three equivalent Ni, two equivalent In, and seven Ge atoms. All Tm–Ni bond lengths are 3.00 Å. Both Tm–In bond lengths are 3.37 Å. There are a spread of Tm–Ge bond distances ranging from 2.94–3.32 Å. Ni is bonded in a 10-coordinate geometry to four Tm and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.39–2.54 Å. In is bonded to eight Tm and four Ge atoms to form face-sharing InTm8Ge4 cuboctahedra. There are two shorter (2.85 Å) and two longer (3.06 Å) In–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, one Ni, one In, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Tm, three equivalent Ni, and one In 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: 1189636
• Report Number(s): mp-13511
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-In-Ni-Tm
Tm4In(NiGe2)2
crystal structure