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Title: Materials Data on ReN2 by Materials Project

Abstract

ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.

Publication Date:
Other Number(s):
mp-1019077
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; ReN2; N-Re
OSTI Identifier:
1350373
DOI:
10.17188/1350373

Citation Formats

The Materials Project. Materials Data on ReN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350373.
The Materials Project. Materials Data on ReN2 by Materials Project. United States. doi:10.17188/1350373.
The Materials Project. 2020. "Materials Data on ReN2 by Materials Project". United States. doi:10.17188/1350373. https://www.osti.gov/servlets/purl/1350373. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1350373,
title = {Materials Data on ReN2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReN2 is Corundum-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form ReN6 octahedra that share corners with three equivalent NRe3N tetrahedra and edges with six equivalent ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.07–2.14 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.38 Å. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN6 octahedra, corners with two equivalent NRe3N tetrahedra, and edges with two equivalent NRe3N tetrahedra. The corner-sharing octahedra tilt angles range from 47–50°.},
doi = {10.17188/1350373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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