Materials Data on ZnFeF4 by Materials Project
FeZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.11–2.47 Å. In the second Fe2+ site, Fe2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Fe–F bond distances ranging from 2.12–2.49 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.02–2.51 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.01–2.56 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a 4-coordinate geometry to two Fe2+ and two Zn2+ 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:
- 1320605
- Report Number(s):
- mvc-3519
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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