Materials Data on OsXeO3F8 by Materials Project
XeOsO3F8 crystallizes in the tetragonal P4_2/n space group. The structure is zero-dimensional and consists of eight XeOsO3F8 clusters. Xe is bonded in a 5-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.55 Å. Os is bonded in a distorted octahedral geometry to three O and three F atoms. There is two shorter (1.71 Å) and one longer (1.72 Å) Os–O bond length. There are a spread of Os–F bond distances ranging from 2.04–2.09 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Os atom. In the second O site, O is bonded in a single-bond geometry to one Os atom. In the third O site, O is bonded in a single-bond geometry to one Os atom. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a water-like geometry to one Xe and one Os atom. In the fourth F site, F is bonded in a distorted single-bond geometry to one Xe and one Os atom. In the fifth F site, F is bonded in a distorted water-like geometry to one Xe and one Os atom. In the sixth F site, F is bonded in a single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Xe 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:
- 1697077
- Report Number(s):
- mp-1197858
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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