Materials Data on HfGe2Rh by Materials Project

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

DOI:https://doi.org/10.17188/1283783· OSTI ID:1283783

HfRhGe2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 12-coordinate geometry to four Rh and eight Ge atoms. There are a spread of Hf–Rh bond distances ranging from 3.08–3.27 Å. There are a spread of Hf–Ge bond distances ranging from 2.75–3.04 Å. In the second Hf site, Hf is bonded in a 7-coordinate geometry to six Rh and seven Ge atoms. There are a spread of Hf–Rh bond distances ranging from 3.05–3.28 Å. There are a spread of Hf–Ge bond distances ranging from 2.82–2.99 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Hf, one Rh, and six Ge atoms. The Rh–Rh bond length is 2.85 Å. There are a spread of Rh–Ge bond distances ranging from 2.51–2.66 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four Hf, two equivalent Rh, and six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.55–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to five Hf and four Rh atoms. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three Hf, three Rh, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to four equivalent Hf, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to six Hf, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the fifth Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Hf and four Rh 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: 1283783
• Report Number(s): mp-683893
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Hf-Rh
HfGe2Rh
crystal structure