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Title: Materials Data on ReN2 by Materials Project

Abstract

ReN2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Re–N bond distances ranging from 1.96–2.35 Å. In the second Re6+ site, Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with two equivalent NRe3N tetrahedra and faces with two equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 1.93–2.16 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Re6+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Re6+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three Re6+ and one N3- atom. The N–N bond length is 1.36 Å. In the fourth N3- site, N3- is bonded to three Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with two equivalent ReN7 pentagonal bipyramids and corners with two equivalent NRe3N tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1077275
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; ReN2; N-Re
OSTI Identifier:
1678601
DOI:
https://doi.org/10.17188/1678601

Citation Formats

The Materials Project. Materials Data on ReN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1678601.
The Materials Project. Materials Data on ReN2 by Materials Project. United States. doi:https://doi.org/10.17188/1678601
The Materials Project. 2020. "Materials Data on ReN2 by Materials Project". United States. doi:https://doi.org/10.17188/1678601. https://www.osti.gov/servlets/purl/1678601. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1678601,
title = {Materials Data on ReN2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReN2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Re6+ sites. In the first Re6+ site, Re6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Re–N bond distances ranging from 1.96–2.35 Å. In the second Re6+ site, Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with two equivalent NRe3N tetrahedra and faces with two equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 1.93–2.16 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Re6+ atoms. In the second N3- site, N3- is bonded in a distorted rectangular see-saw-like geometry to four Re6+ atoms. In the third N3- site, N3- is bonded in a 4-coordinate geometry to three Re6+ and one N3- atom. The N–N bond length is 1.36 Å. In the fourth N3- site, N3- is bonded to three Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with two equivalent ReN7 pentagonal bipyramids and corners with two equivalent NRe3N tetrahedra.},
doi = {10.17188/1678601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}