Materials Data on Nd2NiGe3 by Materials Project

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

DOI:https://doi.org/10.17188/1696139· OSTI ID:1696139

Nd2NiGe3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nd is bonded to three equivalent Ni and nine Ge atoms to form a mixture of face and edge-sharing NdNi3Ge9 cuboctahedra. All Nd–Ni bond lengths are 3.12 Å. There are three shorter (3.12 Å) and six longer (3.30 Å) Nd–Ge bond lengths. Ni is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.45 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.45 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Ge 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: 1696139
• Report Number(s): mp-1220397
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ge-Nd-Ni
Nd2NiGe3
crystal structure