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Title: Materials Data on SrReN3 by Materials Project

Abstract

SrReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.65–3.30 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.66 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–68°. There are a spread of Re–N bond distances ranging from 1.75–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalentmore » Sr2+ and two equivalent Re7+ atoms.« less

Publication Date:
Other Number(s):
mp-989623
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; SrReN3; N-Re-Sr
OSTI Identifier:
1316916
DOI:
https://doi.org/10.17188/1316916

Citation Formats

The Materials Project. Materials Data on SrReN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316916.
The Materials Project. Materials Data on SrReN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316916
The Materials Project. 2020. "Materials Data on SrReN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316916. https://www.osti.gov/servlets/purl/1316916. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316916,
title = {Materials Data on SrReN3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrReN3 is Esseneite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Sr–N bond distances ranging from 2.65–3.30 Å. In the second Sr2+ site, Sr2+ is bonded to six N3- atoms to form SrN6 octahedra that share corners with six equivalent ReN4 tetrahedra and edges with two equivalent SrN6 octahedra. There are a spread of Sr–N bond distances ranging from 2.53–2.66 Å. Re7+ is bonded to four N3- atoms to form ReN4 tetrahedra that share corners with three equivalent SrN6 octahedra and corners with two equivalent ReN4 tetrahedra. The corner-sharing octahedra tilt angles range from 32–68°. There are a spread of Re–N bond distances ranging from 1.75–1.92 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three Sr2+ and one Re7+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and one Re7+ atom. In the third N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Re7+ atoms.},
doi = {10.17188/1316916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}