Materials Data on Nd2FeSi3 by Materials Project
Nd2FeSi3 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 Fe and nine Si atoms to form a mixture of face and edge-sharing NdFe3Si9 cuboctahedra. All Nd–Fe bond lengths are 3.13 Å. There are three shorter (3.13 Å) and six longer (3.20 Å) Nd–Si bond lengths. Fe is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Fe–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 3-coordinate geometry to six equivalent Nd and three equivalent Fe 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:
- 1718521
- Report Number(s):
- mp-1220440
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nd2CoSi3 by Materials Project
Materials Data on La2FeSi3 by Materials Project
Materials Data on Ce2FeSi3 by Materials Project
Dataset
·
Tue May 05 00:00:00 EDT 2020
·
OSTI ID:1711960
Materials Data on La2FeSi3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1716043
Materials Data on Ce2FeSi3 by Materials Project
Dataset
·
Tue May 05 00:00:00 EDT 2020
·
OSTI ID:1718320