U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs9AlO4 by Materials Project
Abstract
Cs9AlO4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent O atoms. All Cs–O bond lengths are 3.12 Å. In the second Cs site, Cs is bonded in a body-centered cubic geometry to eight equivalent Cs atoms. All Cs–Cs bond lengths are 5.18 Å. In the third Cs site, Cs is bonded in a 2-coordinate geometry to two equivalent Cs and two equivalent O atoms. Both Cs–O bond lengths are 2.89 Å. In the fourth Cs site, Cs is bonded in an L-shaped geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.99 Å. Al is bonded in a tetrahedral geometry to four equivalent O atoms. All Al–O bond lengths are 1.82 Å. O is bonded in a distorted single-bond geometry to five Cs and one Al atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-866492
- 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; Cs9AlO4; Al-Cs-O
- OSTI Identifier:
- 1311577
- DOI:
- https://doi.org/10.17188/1311577
Citation Formats
The Materials Project. Materials Data on Cs9AlO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311577.
The Materials Project. Materials Data on Cs9AlO4 by Materials Project. United States. doi:https://doi.org/10.17188/1311577
The Materials Project. 2020.
"Materials Data on Cs9AlO4 by Materials Project". United States. doi:https://doi.org/10.17188/1311577. https://www.osti.gov/servlets/purl/1311577. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1311577,
title = {Materials Data on Cs9AlO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs9AlO4 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are four inequivalent Cs sites. In the first Cs site, Cs is bonded in a 4-coordinate geometry to four equivalent O atoms. All Cs–O bond lengths are 3.12 Å. In the second Cs site, Cs is bonded in a body-centered cubic geometry to eight equivalent Cs atoms. All Cs–Cs bond lengths are 5.18 Å. In the third Cs site, Cs is bonded in a 2-coordinate geometry to two equivalent Cs and two equivalent O atoms. Both Cs–O bond lengths are 2.89 Å. In the fourth Cs site, Cs is bonded in an L-shaped geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.99 Å. Al is bonded in a tetrahedral geometry to four equivalent O atoms. All Al–O bond lengths are 1.82 Å. O is bonded in a distorted single-bond geometry to five Cs and one Al atom.},
doi = {10.17188/1311577},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}