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Title: Materials Data on Rb2MgH4 by Materials Project

Abstract

Rb2MgH4 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 distorted single-bond geometry to one H1- atom. The Rb–H bond length is 2.83 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Rb–H bond distances ranging from 2.87–3.14 Å. Mg2+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Mg–H bond distances ranging from 1.84–1.86 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Mg2+ atom. In the second H1- site, H1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mg2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Mg2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643770
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; Rb2MgH4; H-Mg-Rb
OSTI Identifier:
1280360
DOI:
10.17188/1280360

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2MgH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280360.
Persson, Kristin, & Project, Materials. Materials Data on Rb2MgH4 by Materials Project. United States. doi:10.17188/1280360.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2MgH4 by Materials Project". United States. doi:10.17188/1280360. https://www.osti.gov/servlets/purl/1280360. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280360,
title = {Materials Data on Rb2MgH4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2MgH4 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 distorted single-bond geometry to one H1- atom. The Rb–H bond length is 2.83 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Rb–H bond distances ranging from 2.87–3.14 Å. Mg2+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Mg–H bond distances ranging from 1.84–1.86 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Mg2+ atom. In the second H1- site, H1- is bonded in a 3-coordinate geometry to two Rb1+ and one Mg2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Mg2+ atom.},
doi = {10.17188/1280360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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