Materials Data on VFe11C4 by Materials Project
VFe11C4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VFe11C4 sheet oriented in the (0, 0, 1) direction. V is bonded in a 5-coordinate geometry to one Fe and four C atoms. The V–Fe bond length is 2.33 Å. There are a spread of V–C bond distances ranging from 2.11–2.24 Å. There are eleven inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to one V and two C atoms. There is one shorter (1.96 Å) and one longer (1.97 Å) Fe–C bond length. In the second Fe site, Fe is bonded in a 4-coordinate geometry to four C atoms. There are a spread of Fe–C bond distances ranging from 2.02–2.20 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. There are one shorter (2.20 Å) and one longer (2.21 Å) Fe–C bond lengths. In the fourth Fe site, Fe is bonded in a 4-coordinate geometry to four C atoms. There are a spread of Fe–C bond distances ranging from 1.94–2.22 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. There are one shorter (2.18 Å) and one longer (2.19 Å) Fe–C bond lengths. In the sixth Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. Both Fe–C bond lengths are 1.98 Å. In the seventh Fe site, Fe is bonded in a 4-coordinate geometry to two C atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Fe–C bond lengths. In the eighth Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. There are one shorter (2.01 Å) and one longer (2.02 Å) Fe–C bond lengths. In the ninth Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. There are one shorter (2.25 Å) and one longer (2.27 Å) Fe–C bond lengths. In the tenth Fe site, Fe is bonded in a 4-coordinate geometry to four C atoms. There are a spread of Fe–C bond distances ranging from 1.98–2.28 Å. In the eleventh Fe site, Fe is bonded in a 2-coordinate geometry to two C atoms. There are one shorter (2.20 Å) and one longer (2.23 Å) Fe–C bond lengths. There are four inequivalent C sites. In the first C site, C is bonded in a 8-coordinate geometry to one V and seven Fe atoms. In the second C site, C is bonded in a 8-coordinate geometry to one V and seven Fe atoms. In the third C site, C is bonded in a 8-coordinate geometry to one V and seven Fe atoms. In the fourth C site, C is bonded in a 8-coordinate geometry to one V and 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:
- 1317051
- Report Number(s):
- mp-995285
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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