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Title: Materials Data on BeBiOs2 by Materials Project

Abstract

BeOs2Bi crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os+1.50- atoms to form corner-sharing BeOs4 tetrahedra. All Be–Os bond lengths are 2.76 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded in a distorted body-centered cubic geometry to four equivalent Os+1.50- and four equivalent Bi1+ atoms. All Os–Os bond lengths are 2.76 Å. All Os–Bi bond lengths are 2.76 Å. In the second Os+1.50- site, Os+1.50- is bonded to four equivalent Be2+ and four equivalent Os+1.50- atoms to form distorted OsBe4Os4 tetrahedra that share corners with four equivalent BiOs4 tetrahedra, edges with six equivalent BiOs4 tetrahedra, and edges with twelve equivalent OsBe4Os4 tetrahedra. Bi1+ is bonded to four equivalent Os+1.50- atoms to form distorted BiOs4 tetrahedra that share corners with four equivalent OsBe4Os4 tetrahedra, corners with twelve equivalent BiOs4 tetrahedra, and edges with six equivalent OsBe4Os4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631507
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; BeBiOs2; Be-Bi-Os
OSTI Identifier:
1279196
DOI:
10.17188/1279196

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on BeBiOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279196.
Persson, Kristin, & Project, Materials. Materials Data on BeBiOs2 by Materials Project. United States. doi:10.17188/1279196.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on BeBiOs2 by Materials Project". United States. doi:10.17188/1279196. https://www.osti.gov/servlets/purl/1279196. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279196,
title = {Materials Data on BeBiOs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {BeOs2Bi crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os+1.50- atoms to form corner-sharing BeOs4 tetrahedra. All Be–Os bond lengths are 2.76 Å. There are two inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded in a distorted body-centered cubic geometry to four equivalent Os+1.50- and four equivalent Bi1+ atoms. All Os–Os bond lengths are 2.76 Å. All Os–Bi bond lengths are 2.76 Å. In the second Os+1.50- site, Os+1.50- is bonded to four equivalent Be2+ and four equivalent Os+1.50- atoms to form distorted OsBe4Os4 tetrahedra that share corners with four equivalent BiOs4 tetrahedra, edges with six equivalent BiOs4 tetrahedra, and edges with twelve equivalent OsBe4Os4 tetrahedra. Bi1+ is bonded to four equivalent Os+1.50- atoms to form distorted BiOs4 tetrahedra that share corners with four equivalent OsBe4Os4 tetrahedra, corners with twelve equivalent BiOs4 tetrahedra, and edges with six equivalent OsBe4Os4 tetrahedra.},
doi = {10.17188/1279196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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