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Title: Materials Data on LaReN3 by Materials Project

Abstract

LaReN3 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.37–2.92 Å. Re6+ is bonded to five N3- atoms to form distorted edge-sharing ReN5 trigonal bipyramids. There are a spread of Re–N bond distances ranging from 1.76–2.06 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Re6+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded to two equivalent La3+ and two equivalent Re6+ atoms to form a mixture of distorted corner and edge-sharing NLa2Re2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-989614
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; LaReN3; La-N-Re
OSTI Identifier:
1316907
DOI:
https://doi.org/10.17188/1316907

Citation Formats

The Materials Project. Materials Data on LaReN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316907.
The Materials Project. Materials Data on LaReN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316907
The Materials Project. 2020. "Materials Data on LaReN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316907. https://www.osti.gov/servlets/purl/1316907. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1316907,
title = {Materials Data on LaReN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaReN3 is Pb (Zr_0.50 Ti_0.48) O_3-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.37–2.92 Å. Re6+ is bonded to five N3- atoms to form distorted edge-sharing ReN5 trigonal bipyramids. There are a spread of Re–N bond distances ranging from 1.76–2.06 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Re6+ atom. In the second N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded to two equivalent La3+ and two equivalent Re6+ atoms to form a mixture of distorted corner and edge-sharing NLa2Re2 trigonal pyramids.},
doi = {10.17188/1316907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}