U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Ce2(NO3)9 by Materials Project
Abstract
K3Ce2(NO3)9 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.19 Å. Ce3+ is bonded to twelve O2- atoms to form distorted corner-sharing CeO12 cuboctahedra. There are a spread of Ce–O bond distances ranging from 2.60–2.77 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+, one Ce3+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce3+, and one N5+ atom. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-667318
- 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; K3Ce2(NO3)9; Ce-K-N-O
- OSTI Identifier:
- 1281498
- DOI:
- https://doi.org/10.17188/1281498
Citation Formats
The Materials Project. Materials Data on K3Ce2(NO3)9 by Materials Project. United States: N. p., 2015.
Web. doi:10.17188/1281498.
The Materials Project. Materials Data on K3Ce2(NO3)9 by Materials Project. United States. doi:https://doi.org/10.17188/1281498
The Materials Project. 2015.
"Materials Data on K3Ce2(NO3)9 by Materials Project". United States. doi:https://doi.org/10.17188/1281498. https://www.osti.gov/servlets/purl/1281498. Pub date:Wed Feb 11 00:00:00 EST 2015
@article{osti_1281498,
title = {Materials Data on K3Ce2(NO3)9 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Ce2(NO3)9 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.82–3.19 Å. Ce3+ is bonded to twelve O2- atoms to form distorted corner-sharing CeO12 cuboctahedra. There are a spread of Ce–O bond distances ranging from 2.60–2.77 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.24 Å) and two longer (1.28 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.29 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one K1+, one Ce3+, and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Ce3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one N5+ atom.},
doi = {10.17188/1281498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {2}
}