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Title: Materials Data on RbReN2 by Materials Project

Abstract

RbReN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.21–3.42 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.12–3.51 Å. There are two inequivalent Re5+ sites. In the first Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.89 Å) Re–N bond length. In the second Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There are a spread of Re–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three Rb1+ and two equivalent Re5+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Re5+ atoms. In the third N3- site, N3- is bonded in a distortedmore » linear geometry to four Rb1+ and two Re5+ atoms. In the fourth N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Re5+ atoms.« less

Publication Date:
Other Number(s):
mp-1080850
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; RbReN2; N-Rb-Re
OSTI Identifier:
1749740
DOI:
https://doi.org/10.17188/1749740

Citation Formats

The Materials Project. Materials Data on RbReN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749740.
The Materials Project. Materials Data on RbReN2 by Materials Project. United States. doi:https://doi.org/10.17188/1749740
The Materials Project. 2020. "Materials Data on RbReN2 by Materials Project". United States. doi:https://doi.org/10.17188/1749740. https://www.osti.gov/servlets/purl/1749740. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1749740,
title = {Materials Data on RbReN2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbReN2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Rb–N bond distances ranging from 3.21–3.42 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Rb–N bond distances ranging from 3.12–3.51 Å. There are two inequivalent Re5+ sites. In the first Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There is two shorter (1.88 Å) and two longer (1.89 Å) Re–N bond length. In the second Re5+ site, Re5+ is bonded to four N3- atoms to form corner-sharing ReN4 tetrahedra. There are a spread of Re–N bond distances ranging from 1.87–1.89 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to three Rb1+ and two equivalent Re5+ atoms. In the second N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Re5+ atoms. In the third N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two Re5+ atoms. In the fourth N3- site, N3- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Re5+ atoms.},
doi = {10.17188/1749740},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}