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Title: Materials Data on YReN3 by Materials Project

Abstract

YReN3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of Y–N bond distances ranging from 2.41–3.06 Å. Re6+ is bonded to six N3- atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Re–N bond distances ranging from 1.94–2.00 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent Y3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Y3+ and two equivalent Re6+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998367
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; YReN3; N-Re-Y
OSTI Identifier:
1317315
DOI:
https://doi.org/10.17188/1317315

Citation Formats

The Materials Project. Materials Data on YReN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317315.
The Materials Project. Materials Data on YReN3 by Materials Project. United States. doi:https://doi.org/10.17188/1317315
The Materials Project. 2020. "Materials Data on YReN3 by Materials Project". United States. doi:https://doi.org/10.17188/1317315. https://www.osti.gov/servlets/purl/1317315. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1317315,
title = {Materials Data on YReN3 by Materials Project},
author = {The Materials Project},
abstractNote = {YReN3 is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Y3+ is bonded in a 10-coordinate geometry to ten N3- atoms. There are a spread of Y–N bond distances ranging from 2.41–3.06 Å. Re6+ is bonded to six N3- atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Re–N bond distances ranging from 1.94–2.00 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent Y3+ and two equivalent Re6+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Y3+ and two equivalent Re6+ atoms.},
doi = {10.17188/1317315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}