Materials Data on Nd2Fe2Si2C by Materials Project
Nd2Fe2Si2C crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd3+ is bonded in a 2-coordinate geometry to five equivalent Si4- and two equivalent C4- atoms. There are a spread of Nd–Si bond distances ranging from 3.04–3.19 Å. Both Nd–C bond lengths are 2.67 Å. Fe3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C4- atom. There are two shorter (2.30 Å) and one longer (2.31 Å) Fe–Si bond lengths. The Fe–C bond length is 1.80 Å. Si4- is bonded in a 8-coordinate geometry to five equivalent Nd3+ and three equivalent Fe3+ atoms. C4- is bonded to four equivalent Nd3+ and two equivalent Fe3+ atoms to form distorted edge-sharing CNd4Fe2 octahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1281454
- Report Number(s):
- mp-6638
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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