Materials Data on Na2CrH2F8 by Materials Project
Na2CrH2F8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.39–2.57 Å. Cr4+ is bonded in an octahedral geometry to six F1- atoms. There is four shorter (1.84 Å) and two longer (1.92 Å) Cr–F bond length. H1+ is bonded in a distorted linear geometry to two F1- atoms. There is one shorter (0.98 Å) and one longer (1.50 Å) H–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Cr4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Cr4+, and one H1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Na1+ and one H1+ 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:
- 1314049
- Report Number(s):
- mp-973225
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na7AlH2C4(O3F)4 by Materials Project
Materials Data on NaCa2TiSi2O8F by Materials Project