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Title: Materials Data on Rb2Be2O3 by Materials Project

Abstract

Rb2Be2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.98 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.24 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Be2+ atoms.

Publication Date:
Other Number(s):
mp-755752
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; Rb2Be2O3; Be-O-Rb
OSTI Identifier:
1290177
DOI:
10.17188/1290177

Citation Formats

The Materials Project. Materials Data on Rb2Be2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290177.
The Materials Project. Materials Data on Rb2Be2O3 by Materials Project. United States. doi:10.17188/1290177.
The Materials Project. 2020. "Materials Data on Rb2Be2O3 by Materials Project". United States. doi:10.17188/1290177. https://www.osti.gov/servlets/purl/1290177. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290177,
title = {Materials Data on Rb2Be2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Be2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.87 Å) and two longer (2.98 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.24 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.56 Å) and two longer (1.57 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded in a trigonal planar geometry to three O2- atoms. All Be–O bond lengths are 1.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two Be2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to four Rb1+ and two Be2+ atoms.},
doi = {10.17188/1290177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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