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Title: Materials Data on ZrBe13 by Materials Project

Abstract

Be13Zr crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to ten Be and two equivalent Zr atoms to form distorted BeZr2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeZr2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.31 Å. Both Be–Zr bond lengths are 2.93 Å. Zr is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.

Publication Date:
Other Number(s):
mp-30445
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; ZrBe13; Be-Zr
OSTI Identifier:
1204853
DOI:
10.17188/1204853

Citation Formats

The Materials Project. Materials Data on ZrBe13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204853.
The Materials Project. Materials Data on ZrBe13 by Materials Project. United States. doi:10.17188/1204853.
The Materials Project. 2020. "Materials Data on ZrBe13 by Materials Project". United States. doi:10.17188/1204853. https://www.osti.gov/servlets/purl/1204853. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204853,
title = {Materials Data on ZrBe13 by Materials Project},
author = {The Materials Project},
abstractNote = {Be13Zr crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to ten Be and two equivalent Zr atoms to form distorted BeZr2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeZr2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.16–2.31 Å. Both Be–Zr bond lengths are 2.93 Å. Zr is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms.},
doi = {10.17188/1204853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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