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Title: Materials Data on NaEr(ReO5)4 by Materials Project

Abstract

NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.56 Å) and four longer (2.65 Å) Na–O bond lengths. Er is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Er–O bond lengths. Re is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.74 Å) and one longer (1.81 Å) Re–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Er atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one Re atom.

Publication Date:
Other Number(s):
mp-1210594
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(ReO5)4; Er-Na-O-Re
OSTI Identifier:
1654430
DOI:
https://doi.org/10.17188/1654430

Citation Formats

The Materials Project. Materials Data on NaEr(ReO5)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654430.
The Materials Project. Materials Data on NaEr(ReO5)4 by Materials Project. United States. doi:https://doi.org/10.17188/1654430
The Materials Project. 2020. "Materials Data on NaEr(ReO5)4 by Materials Project". United States. doi:https://doi.org/10.17188/1654430. https://www.osti.gov/servlets/purl/1654430. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1654430,
title = {Materials Data on NaEr(ReO5)4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaEr(ReO5)4 crystallizes in the tetragonal P-4n2 space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.56 Å) and four longer (2.65 Å) Na–O bond lengths. Er is bonded in a 8-coordinate geometry to eight O atoms. There are four shorter (2.27 Å) and four longer (2.38 Å) Er–O bond lengths. Re is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.74 Å) and one longer (1.81 Å) Re–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re atom. In the second O site, O is bonded in a distorted single-bond geometry to one Na and one Re atom. In the third O site, O is bonded in a single-bond geometry to one Er atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Na and one Re atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one Re atom.},
doi = {10.17188/1654430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}