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Title: Materials Data on CsLaCl4O3 by Materials Project

Abstract

CsLaO3Cl4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 7-coordinate geometry to one O and six Cl atoms. The Cs–O bond length is 3.31 Å. There are a spread of Cs–Cl bond distances ranging from 3.60–3.70 Å. La is bonded in a 3-coordinate geometry to three O and six Cl atoms. There are a spread of La–O bond distances ranging from 2.39–2.53 Å. There are a spread of La–Cl bond distances ranging from 2.92–2.96 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs and one La atom. In the second O site, O is bonded in a single-bond geometry to one La and two equivalent Cl atoms. Both O–Cl bond lengths are 2.48 Å. In the third O site, O is bonded in a single-bond geometry to one La and two equivalent Cl atoms. Both O–Cl bond lengths are 2.47 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to one Cs and two equivalent La atoms. In the second Cl site, Cl is bonded in a 3-coordinate geometrymore » to two equivalent Cs, one La, and two O atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1181615
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; CsLaCl4O3; Cl-Cs-La-O
OSTI Identifier:
1753436
DOI:
https://doi.org/10.17188/1753436

Citation Formats

The Materials Project. Materials Data on CsLaCl4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753436.
The Materials Project. Materials Data on CsLaCl4O3 by Materials Project. United States. doi:https://doi.org/10.17188/1753436
The Materials Project. 2020. "Materials Data on CsLaCl4O3 by Materials Project". United States. doi:https://doi.org/10.17188/1753436. https://www.osti.gov/servlets/purl/1753436. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753436,
title = {Materials Data on CsLaCl4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLaO3Cl4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Cs is bonded in a 7-coordinate geometry to one O and six Cl atoms. The Cs–O bond length is 3.31 Å. There are a spread of Cs–Cl bond distances ranging from 3.60–3.70 Å. La is bonded in a 3-coordinate geometry to three O and six Cl atoms. There are a spread of La–O bond distances ranging from 2.39–2.53 Å. There are a spread of La–Cl bond distances ranging from 2.92–2.96 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Cs and one La atom. In the second O site, O is bonded in a single-bond geometry to one La and two equivalent Cl atoms. Both O–Cl bond lengths are 2.48 Å. In the third O site, O is bonded in a single-bond geometry to one La and two equivalent Cl atoms. Both O–Cl bond lengths are 2.47 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to one Cs and two equivalent La atoms. In the second Cl site, Cl is bonded in a 3-coordinate geometry to two equivalent Cs, one La, and two O atoms.},
doi = {10.17188/1753436},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}