Materials Data on ErNiGe2 by Materials Project

Dataset · Tue Jul 14 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1276985· OSTI ID:1276985

ErNiGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to six equivalent Ni and eight Ge atoms. There are four shorter (3.10 Å) and two longer (3.18 Å) Er–Ni bond lengths. There are a spread of Er–Ge bond distances ranging from 2.90–2.94 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to four equivalent Ni and ten Ge atoms. All Er–Ni bond lengths are 3.14 Å. There are a spread of Er–Ge bond distances ranging from 3.16–3.28 Å. Ni is bonded in a 10-coordinate geometry to five Er and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.35–2.61 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Er, three equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.68 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.45 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: 1276985
• Report Number(s): mp-582572
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Er-Ge-Ni
ErNiGe2
crystal structure