U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Al(NO3)5 by Materials Project
Abstract
Cs2Al(NO3)5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to thirteen O2- atoms. There are a spread of Cs–O bond distances ranging from 3.23–3.71 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.37 Å. Al3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.87–2.01 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.33 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.33 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.22 Å) and two longer (1.30 Å) N–O bond length. There are eight inequivalent O2- sites. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-572149
- 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; Cs2Al(NO3)5; Al-Cs-N-O
- OSTI Identifier:
- 1276390
- DOI:
- https://doi.org/10.17188/1276390
Citation Formats
The Materials Project. Materials Data on Cs2Al(NO3)5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276390.
The Materials Project. Materials Data on Cs2Al(NO3)5 by Materials Project. United States. doi:https://doi.org/10.17188/1276390
The Materials Project. 2020.
"Materials Data on Cs2Al(NO3)5 by Materials Project". United States. doi:https://doi.org/10.17188/1276390. https://www.osti.gov/servlets/purl/1276390. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1276390,
title = {Materials Data on Cs2Al(NO3)5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Al(NO3)5 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to thirteen O2- atoms. There are a spread of Cs–O bond distances ranging from 3.23–3.71 Å. In the second Cs1+ site, Cs1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Cs–O bond distances ranging from 3.24–3.37 Å. Al3+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.87–2.01 Å. There are three inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.33 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.33 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.22 Å) and two longer (1.30 Å) N–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cs1+ and one N5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Cs1+, one Al3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cs1+, one Al3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in an L-shaped geometry to one Cs1+, one Al3+, and one N5+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to two Cs1+ and one N5+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to two Cs1+ and one N5+ atom.},
doi = {10.17188/1276390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}