Materials Data on Cs3B12AsF18 by Materials Project
Cs3(AsF6)(B12F12) crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Cs–F bond distances ranging from 3.12–3.33 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a single-bond geometry to one F1- atom. The B–F bond length is 1.39 Å. In the second B+1.50+ site, B+1.50+ is bonded in a single-bond geometry to one F1- atom. The B–F bond length is 1.40 Å. As3- is bonded in an octahedral geometry to six equivalent F1- atoms. All As–F bond lengths are 1.78 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one B+1.50+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent Cs1+ and one As3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Cs1+ and one B+1.50+ atom.
- 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:
- 1729423
- Report Number(s):
- mp-1203209
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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