Materials Data on Nd2CoSi3 by Materials Project

Dataset · Tue May 05 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1711960· OSTI ID:1711960

Nd2CoSi3 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 Co and nine Si atoms to form a mixture of edge and face-sharing NdCo3Si9 cuboctahedra. All Nd–Co bond lengths are 3.14 Å. There are three shorter (3.14 Å) and six longer (3.18 Å) Nd–Si bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Co–Si bond lengths are 2.33 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.33 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Co atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si 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: 1711960
• Report Number(s): mp-1220282
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Co-Nd-Si
Nd2CoSi3
crystal structure