Materials Data on YO2F by Materials Project
YO2F crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to seven O and two F atoms. There are a spread of Y–O bond distances ranging from 2.30–2.46 Å. There are one shorter (2.30 Å) and one longer (2.37 Å) Y–F bond lengths. In the second Y site, Y is bonded in a 9-coordinate geometry to five O and four F atoms. There are a spread of Y–O bond distances ranging from 2.25–2.56 Å. All Y–F bond lengths are 2.37 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Y atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the third O site, O is bonded in a trigonal non-coplanar geometry to three Y atoms. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three Y atoms. There are two inequivalent F sites. In the first F site, F is bonded in a trigonal non-coplanar geometry to three Y atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Y 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:
- 1732140
- Report Number(s):
- mp-1215963
- Country of Publication:
- United States
- Language:
- English
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