Materials Data on CrF5 by Materials Project
CrF5 crystallizes in the orthorhombic Pbcm space group. The structure is one-dimensional and consists of two CrF5 ribbons oriented in the (1, 0, 0) direction. Cr5+ is bonded to six F1- atoms to form corner-sharing CrF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Cr–F bond distances ranging from 1.73–1.98 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Cr5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Cr5+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1279845
- Report Number(s):
- mp-639662
- Country of Publication:
- United States
- Language:
- English
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