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

Abstract

NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.61 Å) Na–O bond lengths. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Ce–O bond lengths. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1221085
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; NaCe(MoO4)2; Ce-Mo-Na-O
OSTI Identifier:
1673012
DOI:
10.17188/1673012

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaCe(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1673012.
Persson, Kristin, & Project, Materials. Materials Data on NaCe(MoO4)2 by Materials Project. United States. doi:10.17188/1673012.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaCe(MoO4)2 by Materials Project". United States. doi:10.17188/1673012. https://www.osti.gov/servlets/purl/1673012. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1673012,
title = {Materials Data on NaCe(MoO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaCe(MoO4)2 is Zircon-derived structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.53 Å) and four longer (2.61 Å) Na–O bond lengths. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.46 Å) and four longer (2.53 Å) Ce–O bond lengths. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. In the second Mo6+ site, Mo6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Mo–O bond lengths are 1.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Ce3+, and one Mo6+ atom.},
doi = {10.17188/1673012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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