Materials Data on NdGe2Ir by Materials Project

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

DOI:https://doi.org/10.17188/1266587· OSTI ID:1266587

NdIrGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Ir and nine Ge atoms. There are two shorter (3.28 Å) and four longer (3.31 Å) Nd–Ir bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.03–3.50 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Nd–Ir bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.33–3.46 Å. Ir is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.49–2.68 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Nd and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.78 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: 1266587
• Report Number(s): mp-542593
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Ir-Nd
NdGe2Ir
crystal structure