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

Abstract

NaEr(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 (2.48 Å) and four longer (2.50 Å) Na–O bond lengths. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.39 Å) Er–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 Er3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Er3+, and one Mo6+ atom.

Publication Date:
Other Number(s):
mp-1221047
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; NaEr(MoO4)2; Er-Mo-Na-O
OSTI Identifier:
1722431
DOI:
https://doi.org/10.17188/1722431

Citation Formats

The Materials Project. Materials Data on NaEr(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722431.
The Materials Project. Materials Data on NaEr(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722431
The Materials Project. 2020. "Materials Data on NaEr(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722431. https://www.osti.gov/servlets/purl/1722431. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722431,
title = {Materials Data on NaEr(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaEr(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 (2.48 Å) and four longer (2.50 Å) Na–O bond lengths. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.39 Å) Er–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 Er3+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Er3+, and one Mo6+ atom.},
doi = {10.17188/1722431},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}