Materials Data on Fe5C2 by Materials Project
Fe5C2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are ten inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.97 Å) and one longer (2.00 Å) Fe–C bond length. In the second Fe site, Fe is bonded in a distorted bent 150 degrees geometry to two C atoms. There is one shorter (1.96 Å) and one longer (2.00 Å) Fe–C bond length. In the third Fe site, Fe is bonded in a bent 150 degrees geometry to two C atoms. There is one shorter (1.96 Å) and one longer (2.00 Å) Fe–C bond length. In the fourth Fe site, Fe is bonded in a bent 150 degrees geometry to two C atoms. There is one shorter (1.97 Å) and one longer (2.01 Å) Fe–C bond length. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Fe–C bond distances ranging from 1.95–2.22 Å. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Fe–C bond distances ranging from 1.94–2.23 Å. In the seventh Fe site, Fe is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Fe–C bond distances ranging from 1.94–2.26 Å. In the eighth Fe site, Fe is bonded in a 2-coordinate geometry to three C atoms. There are a spread of Fe–C bond distances ranging from 1.94–2.27 Å. In the ninth Fe site, Fe is bonded to four C atoms to form distorted edge-sharing FeC4 tetrahedra. There are three shorter (2.02 Å) and one longer (2.03 Å) Fe–C bond lengths. In the tenth Fe site, Fe is bonded to four C atoms to form distorted edge-sharing FeC4 tetrahedra. There are three shorter (2.02 Å) and one longer (2.03 Å) Fe–C bond lengths. There are four inequivalent C sites. In the first C site, C is bonded in a 7-coordinate geometry to seven Fe atoms. In the second C site, C is bonded in a 7-coordinate geometry to seven Fe atoms. In the third C site, C is bonded in a 7-coordinate geometry to seven Fe atoms. In the fourth C site, C is bonded in a 7-coordinate geometry to seven Fe atoms.
- 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:
- 1202094
- Report Number(s):
- mp-2794
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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