Materials Data on OsOF4 by Materials Project
OsOF4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two OsOF4 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded to one O2- and five F1- atoms to form corner-sharing OsOF5 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.88–2.11 Å. In the second Os6+ site, Os6+ is bonded to one O2- and five F1- atoms to form corner-sharing OsOF5 octahedra. The corner-sharing octahedra tilt angles range from 38–39°. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.88–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os6+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Os6+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Os6+ 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:
- 1270539
- Report Number(s):
- mp-558879
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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