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Title: 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}
}