U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2OsNCl5 by Materials Project
Abstract
K2OsNCl5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.06–3.49 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to two equivalent N3- and five Cl1- atoms. There are one shorter (3.06 Å) and one longer (3.45 Å) K–N bond lengths. There are a spread of K–Cl bond distances ranging from 3.01–3.31 Å. Os6+ is bonded in a distorted octahedral geometry to one N3- and five Cl1- atoms. The Os–N bond length is 1.67 Å. There are a spread of Os–Cl bond distances ranging from 2.35–2.56 Å. N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Os6+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a T-shaped geometry to two K1+ and one Os6+ atom. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Os6+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shapedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-569207
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K2OsNCl5; Cl-K-N-Os
- OSTI Identifier:
- 1274984
- DOI:
- https://doi.org/10.17188/1274984
Citation Formats
The Materials Project. Materials Data on K2OsNCl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274984.
The Materials Project. Materials Data on K2OsNCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1274984
The Materials Project. 2020.
"Materials Data on K2OsNCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1274984. https://www.osti.gov/servlets/purl/1274984. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274984,
title = {Materials Data on K2OsNCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2OsNCl5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.06–3.49 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to two equivalent N3- and five Cl1- atoms. There are one shorter (3.06 Å) and one longer (3.45 Å) K–N bond lengths. There are a spread of K–Cl bond distances ranging from 3.01–3.31 Å. Os6+ is bonded in a distorted octahedral geometry to one N3- and five Cl1- atoms. The Os–N bond length is 1.67 Å. There are a spread of Os–Cl bond distances ranging from 2.35–2.56 Å. N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Os6+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a T-shaped geometry to two K1+ and one Os6+ atom. In the second Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to three K1+ and one Os6+ atom. In the third Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to one K1+ and one Os6+ atom.},
doi = {10.17188/1274984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}