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Title: Materials Data on CsLa(MoO4)2 by Materials Project

Abstract

CsLa(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.51 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.80 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, two equivalent La3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one La3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one La3+, and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1213151
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; CsLa(MoO4)2; Cs-La-Mo-O
OSTI Identifier:
1680539
DOI:
https://doi.org/10.17188/1680539

Citation Formats

The Materials Project. Materials Data on CsLa(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680539.
The Materials Project. Materials Data on CsLa(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1680539
The Materials Project. 2020. "Materials Data on CsLa(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1680539. https://www.osti.gov/servlets/purl/1680539. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680539,
title = {Materials Data on CsLa(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLa(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.51 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.80 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, two equivalent La3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cs1+, one La3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one La3+, and one Mo6+ atom.},
doi = {10.17188/1680539},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}