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Title: Materials Data on Re3N by Materials Project

Abstract

Re3N crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent Re and three equivalent N atoms. All Re–Re bond lengths are 2.72 Å. All Re–N bond lengths are 2.17 Å. In the second Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent NRe6 pentagonal pyramids, edges with six equivalent ReRe12 cuboctahedra, faces with six equivalent ReRe12 cuboctahedra, and faces with two equivalent NRe6 pentagonal pyramids. All Re–Re bond lengths are 2.84 Å. N is bonded to six equivalent Re atoms to form distorted NRe6 pentagonal pyramids that share corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent NRe6 pentagonal pyramids, and faces with two equivalent ReRe12 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-974435
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; Re3N; N-Re
OSTI Identifier:
1314495
DOI:
https://doi.org/10.17188/1314495

Citation Formats

The Materials Project. Materials Data on Re3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314495.
The Materials Project. Materials Data on Re3N by Materials Project. United States. doi:https://doi.org/10.17188/1314495
The Materials Project. 2020. "Materials Data on Re3N by Materials Project". United States. doi:https://doi.org/10.17188/1314495. https://www.osti.gov/servlets/purl/1314495. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1314495,
title = {Materials Data on Re3N by Materials Project},
author = {The Materials Project},
abstractNote = {Re3N crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 3-coordinate geometry to three equivalent Re and three equivalent N atoms. All Re–Re bond lengths are 2.72 Å. All Re–N bond lengths are 2.17 Å. In the second Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent NRe6 pentagonal pyramids, edges with six equivalent ReRe12 cuboctahedra, faces with six equivalent ReRe12 cuboctahedra, and faces with two equivalent NRe6 pentagonal pyramids. All Re–Re bond lengths are 2.84 Å. N is bonded to six equivalent Re atoms to form distorted NRe6 pentagonal pyramids that share corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent NRe6 pentagonal pyramids, and faces with two equivalent ReRe12 cuboctahedra.},
doi = {10.17188/1314495},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}