Materials Data on BeF2 by Materials Project
BeF2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one BeF2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three F1- atoms. There are a spread of Be–F bond distances ranging from 1.41–1.54 Å. In the second Be2+ site, Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There is two shorter (1.56 Å) and two longer (1.57 Å) Be–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Be2+ atom. In the second F1- site, F1- is bonded in a linear geometry to two Be2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ atoms.
- 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:
- 1283944
- Report Number(s):
- mp-684652
- Country of Publication:
- United States
- Language:
- English
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