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

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

Abstract

CeTl(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.37–2.64 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.82–2.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one Mo6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1213849
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; CeTl(MoO4)2; Ce-Mo-O-Tl
OSTI Identifier:
1731997
DOI:
https://doi.org/10.17188/1731997

Citation Formats

The Materials Project. Materials Data on CeTl(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731997.
The Materials Project. Materials Data on CeTl(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1731997
The Materials Project. 2020. "Materials Data on CeTl(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1731997. https://www.osti.gov/servlets/purl/1731997. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1731997,
title = {Materials Data on CeTl(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CeTl(MoO4)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.37–2.64 Å. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–1.87 Å. Tl1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.82–2.99 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ce3+, one Mo6+, and one Tl1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mo6+ and two equivalent Tl1+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ce3+ and one Mo6+ atom.},
doi = {10.17188/1731997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}