DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cs3LaO3 by Materials Project

Abstract

Cs3LaO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.81–3.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.51 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.10 Å) and two longer (3.44 Å) Cs–O bond lengths. La3+ is bonded to four O2- atoms to form edge-sharing LaO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.26–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Cs1+ and one La3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-755198
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; Cs3LaO3; Cs-La-O
OSTI Identifier:
1289831
DOI:
https://doi.org/10.17188/1289831

Citation Formats

The Materials Project. Materials Data on Cs3LaO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289831.
The Materials Project. Materials Data on Cs3LaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289831
The Materials Project. 2020. "Materials Data on Cs3LaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289831. https://www.osti.gov/servlets/purl/1289831. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1289831,
title = {Materials Data on Cs3LaO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3LaO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.81–3.47 Å. In the second Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.94 Å) and two longer (3.51 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (3.10 Å) and two longer (3.44 Å) Cs–O bond lengths. La3+ is bonded to four O2- atoms to form edge-sharing LaO4 tetrahedra. There are a spread of La–O bond distances ranging from 2.26–2.34 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+ and two equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 7-coordinate geometry to six Cs1+ and one La3+ atom.},
doi = {10.17188/1289831},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}