skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on YReN3 by Materials Project

Abstract

YReN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Y–N bond distances ranging from 2.36–2.66 Å. Re6+ is bonded to six N3- atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Re–N bond distances ranging from 1.98–2.02 Å. There are two 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 to two equivalent Y3+ and two equivalent Re6+ atoms to form distorted corner-sharing NY2Re2 tetrahedra.

Publication Date:
Other Number(s):
mp-989647
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; YReN3; N-Re-Y
OSTI Identifier:
1316940
DOI:
10.17188/1316940

Citation Formats

The Materials Project. Materials Data on YReN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316940.
The Materials Project. Materials Data on YReN3 by Materials Project. United States. doi:10.17188/1316940.
The Materials Project. 2020. "Materials Data on YReN3 by Materials Project". United States. doi:10.17188/1316940. https://www.osti.gov/servlets/purl/1316940. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1316940,
title = {Materials Data on YReN3 by Materials Project},
author = {The Materials Project},
abstractNote = {YReN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Y–N bond distances ranging from 2.36–2.66 Å. Re6+ is bonded to six N3- atoms to form corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 26–29°. There are a spread of Re–N bond distances ranging from 1.98–2.02 Å. There are two 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 to two equivalent Y3+ and two equivalent Re6+ atoms to form distorted corner-sharing NY2Re2 tetrahedra.},
doi = {10.17188/1316940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: