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Title: Materials Data on CsLa3O5 by Materials Project

Abstract

CsLa3O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.34–3.55 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.88 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. In the third La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of La–O bond distances ranging from 2.34–2.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to six La3+ atoms to form edge-sharing OLa6 octahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three La3+ atoms. In the third O2- site, O2-more » is bonded in a distorted trigonal planar geometry to one Cs1+ and three La3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three La3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three La3+ atoms.« less

Publication Date:
Other Number(s):
mp-771235
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsLa3O5; Cs-La-O
OSTI Identifier:
1300390
DOI:
10.17188/1300390

Citation Formats

The Materials Project. Materials Data on CsLa3O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300390.
The Materials Project. Materials Data on CsLa3O5 by Materials Project. United States. doi:10.17188/1300390.
The Materials Project. 2020. "Materials Data on CsLa3O5 by Materials Project". United States. doi:10.17188/1300390. https://www.osti.gov/servlets/purl/1300390. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1300390,
title = {Materials Data on CsLa3O5 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLa3O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.34–3.55 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.30–2.88 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of La–O bond distances ranging from 2.33–2.70 Å. In the third La3+ site, La3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of La–O bond distances ranging from 2.34–2.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to six La3+ atoms to form edge-sharing OLa6 octahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three La3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cs1+ and three La3+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three La3+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three La3+ atoms.},
doi = {10.17188/1300390},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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