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Title: Materials Data on RbBeN3 by Materials Project

Abstract

RbBeN3 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 6-coordinate geometry to six N1- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 2.88–3.49 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three N1- atoms. There is two shorter (1.63 Å) and one longer (1.65 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded in a 1-coordinate geometry to three N1- atoms. There are a spread of Be–N bond distances ranging from 1.48–1.74 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to two Rb1+ and one Be2+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to one Rb1+, one Be2+, and one N1- atom. The N–N bond length is 1.17 Å. In the third N1- site, N1- ismore » bonded in a distorted single-bond geometry to three Rb1+ and one Be2+ atom. In the fourth N1- site, N1- is bonded in a 4-coordinate geometry to two Rb1+, one Be2+, and one N1- atom. In the fifth N1- site, N1- is bonded in a single-bond geometry to three Rb1+ and one Be2+ atom. In the sixth N1- site, N1- is bonded in a distorted single-bond geometry to three Rb1+ and one Be2+ atom.« less

Publication Date:
Other Number(s):
mp-1197886
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; RbBeN3; Be-N-Rb
OSTI Identifier:
1726845
DOI:
https://doi.org/10.17188/1726845

Citation Formats

The Materials Project. Materials Data on RbBeN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726845.
The Materials Project. Materials Data on RbBeN3 by Materials Project. United States. doi:https://doi.org/10.17188/1726845
The Materials Project. 2020. "Materials Data on RbBeN3 by Materials Project". United States. doi:https://doi.org/10.17188/1726845. https://www.osti.gov/servlets/purl/1726845. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1726845,
title = {Materials Data on RbBeN3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBeN3 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 6-coordinate geometry to six N1- atoms. There are a spread of Rb–N bond distances ranging from 2.94–3.27 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight N1- atoms. There are a spread of Rb–N bond distances ranging from 2.88–3.49 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three N1- atoms. There is two shorter (1.63 Å) and one longer (1.65 Å) Be–N bond length. In the second Be2+ site, Be2+ is bonded in a 1-coordinate geometry to three N1- atoms. There are a spread of Be–N bond distances ranging from 1.48–1.74 Å. There are six inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted single-bond geometry to two Rb1+ and one Be2+ atom. In the second N1- site, N1- is bonded in a 1-coordinate geometry to one Rb1+, one Be2+, and one N1- atom. The N–N bond length is 1.17 Å. In the third N1- site, N1- is bonded in a distorted single-bond geometry to three Rb1+ and one Be2+ atom. In the fourth N1- site, N1- is bonded in a 4-coordinate geometry to two Rb1+, one Be2+, and one N1- atom. In the fifth N1- site, N1- is bonded in a single-bond geometry to three Rb1+ and one Be2+ atom. In the sixth N1- site, N1- is bonded in a distorted single-bond geometry to three Rb1+ and one Be2+ atom.},
doi = {10.17188/1726845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}