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Title: Materials Data on Rb2ZnH4 by Materials Project

Abstract

Rb2ZnH4 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 five H1- atoms. There are a spread of Rb–H bond distances ranging from 3.07–3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine H1- atoms. There are a spread of Rb–H bond distances ranging from 2.92–3.21 Å. Zn2+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Zn–H bond distances ranging from 1.66–1.68 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three Rb1+ and one Zn2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697575
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; Rb2ZnH4; H-Rb-Zn
OSTI Identifier:
1285165
DOI:
10.17188/1285165

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Rb2ZnH4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285165.
Persson, Kristin, & Project, Materials. Materials Data on Rb2ZnH4 by Materials Project. United States. doi:10.17188/1285165.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Rb2ZnH4 by Materials Project". United States. doi:10.17188/1285165. https://www.osti.gov/servlets/purl/1285165. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1285165,
title = {Materials Data on Rb2ZnH4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Rb2ZnH4 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 five H1- atoms. There are a spread of Rb–H bond distances ranging from 3.07–3.14 Å. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to nine H1- atoms. There are a spread of Rb–H bond distances ranging from 2.92–3.21 Å. Zn2+ is bonded in a tetrahedral geometry to four H1- atoms. There are a spread of Zn–H bond distances ranging from 1.66–1.68 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to three Rb1+ and one Zn2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to four Rb1+ and one Zn2+ atom.},
doi = {10.17188/1285165},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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