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Title: Materials Data on BeH2 by Materials Project

Abstract

BeH2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four equivalent H1- atoms to form corner-sharing BeH4 tetrahedra. All Be–H bond lengths are 1.43 Å. In the second Be2+ site, Be2+ is bonded to four H1- atoms to form corner-sharing BeH4 tetrahedra. There is three shorter (1.43 Å) and one longer (1.44 Å) Be–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms. In the second H1- site, H1- is bonded in a bent 120 degrees geometry to two Be2+ atoms.

Publication Date:
Other Number(s):
mp-768203
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; BeH2; Be-H
OSTI Identifier:
1298260
DOI:
10.17188/1298260

Citation Formats

The Materials Project. Materials Data on BeH2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298260.
The Materials Project. Materials Data on BeH2 by Materials Project. United States. doi:10.17188/1298260.
The Materials Project. 2020. "Materials Data on BeH2 by Materials Project". United States. doi:10.17188/1298260. https://www.osti.gov/servlets/purl/1298260. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298260,
title = {Materials Data on BeH2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeH2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four equivalent H1- atoms to form corner-sharing BeH4 tetrahedra. All Be–H bond lengths are 1.43 Å. In the second Be2+ site, Be2+ is bonded to four H1- atoms to form corner-sharing BeH4 tetrahedra. There is three shorter (1.43 Å) and one longer (1.44 Å) Be–H bond length. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a bent 120 degrees geometry to two equivalent Be2+ atoms. In the second H1- site, H1- is bonded in a bent 120 degrees geometry to two Be2+ atoms.},
doi = {10.17188/1298260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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