U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on OsO3F2 by Materials Project
Abstract
OsO3F2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsO3F2 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 34°. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.91–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os8+ atoms.
- Publication Date:
- Other Number(s):
- mp-28845
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; F-O-Os; OsO3F2
- OSTI Identifier:
- 1202929
- DOI:
- https://doi.org/10.17188/1202929
Citation Formats
Materials Data on OsO3F2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202929.
Materials Data on OsO3F2 by Materials Project. United States. doi:https://doi.org/10.17188/1202929
2020.
"Materials Data on OsO3F2 by Materials Project". United States. doi:https://doi.org/10.17188/1202929. https://www.osti.gov/servlets/purl/1202929. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1202929,
title = {Materials Data on OsO3F2 by Materials Project},
abstractNote = {OsO3F2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsO3F2 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 34°. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.91–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os8+ atoms.},
doi = {10.17188/1202929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}