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Title: Materials Data on LaBeOs2 by Materials Project

Abstract

BeLaOs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os2- atoms to form BeOs4 tetrahedra that share corners with four equivalent OsLa4Os4 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, edges with six equivalent OsLa4Os4 tetrahedra, and faces with four equivalent LaOs10 tetrahedra. All Be–Os bond lengths are 2.82 Å. La2+ is bonded to ten Os2- atoms to form distorted LaOs10 tetrahedra that share corners with six equivalent LaOs10 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with sixteen OsLa4Os4 tetrahedra, edges with six equivalent OsLa6Be4Os4 tetrahedra, faces with four equivalent BeOs4 tetrahedra, faces with four equivalent OsLa4Os4 tetrahedra, and faces with twelve equivalent LaOs10 tetrahedra. There are four shorter (2.82 Å) and six longer (3.25 Å) La–Os bond lengths. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to four equivalent La2+ and four equivalent Os2- atoms to form distorted OsLa4Os4 tetrahedra that share corners with four equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, corners with twelve equivalent OsLa6Be4Os4 tetrahedra, edges with six equivalent BeOs4 tetrahedra, edges with twelve equivalent OsLa4Os4 tetrahedra, faces with four equivalent LaOs10 tetrahedra,more » and faces with four equivalent OsLa6Be4Os4 tetrahedra. All Os–Os bond lengths are 2.82 Å. In the second Os2- site, Os2- is bonded to four equivalent Be2+, six equivalent La2+, and four equivalent Os2- atoms to form distorted OsLa6Be4Os4 tetrahedra that share corners with four equivalent LaOs10 tetrahedra, corners with eighteen OsLa4Os4 tetrahedra, edges with six equivalent LaOs10 tetrahedra, and faces with sixteen OsLa4Os4 tetrahedra.« less

Publication Date:
Other Number(s):
mp-631487
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; LaBeOs2; Be-La-Os
OSTI Identifier:
1279178
DOI:
10.17188/1279178

Citation Formats

The Materials Project. Materials Data on LaBeOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279178.
The Materials Project. Materials Data on LaBeOs2 by Materials Project. United States. doi:10.17188/1279178.
The Materials Project. 2020. "Materials Data on LaBeOs2 by Materials Project". United States. doi:10.17188/1279178. https://www.osti.gov/servlets/purl/1279178. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279178,
title = {Materials Data on LaBeOs2 by Materials Project},
author = {The Materials Project},
abstractNote = {BeLaOs2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Be2+ is bonded to four equivalent Os2- atoms to form BeOs4 tetrahedra that share corners with four equivalent OsLa4Os4 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, edges with six equivalent OsLa4Os4 tetrahedra, and faces with four equivalent LaOs10 tetrahedra. All Be–Os bond lengths are 2.82 Å. La2+ is bonded to ten Os2- atoms to form distorted LaOs10 tetrahedra that share corners with six equivalent LaOs10 tetrahedra, corners with twelve equivalent BeOs4 tetrahedra, corners with sixteen OsLa4Os4 tetrahedra, edges with six equivalent OsLa6Be4Os4 tetrahedra, faces with four equivalent BeOs4 tetrahedra, faces with four equivalent OsLa4Os4 tetrahedra, and faces with twelve equivalent LaOs10 tetrahedra. There are four shorter (2.82 Å) and six longer (3.25 Å) La–Os bond lengths. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to four equivalent La2+ and four equivalent Os2- atoms to form distorted OsLa4Os4 tetrahedra that share corners with four equivalent BeOs4 tetrahedra, corners with twelve equivalent LaOs10 tetrahedra, corners with twelve equivalent OsLa6Be4Os4 tetrahedra, edges with six equivalent BeOs4 tetrahedra, edges with twelve equivalent OsLa4Os4 tetrahedra, faces with four equivalent LaOs10 tetrahedra, and faces with four equivalent OsLa6Be4Os4 tetrahedra. All Os–Os bond lengths are 2.82 Å. In the second Os2- site, Os2- is bonded to four equivalent Be2+, six equivalent La2+, and four equivalent Os2- atoms to form distorted OsLa6Be4Os4 tetrahedra that share corners with four equivalent LaOs10 tetrahedra, corners with eighteen OsLa4Os4 tetrahedra, edges with six equivalent LaOs10 tetrahedra, and faces with sixteen OsLa4Os4 tetrahedra.},
doi = {10.17188/1279178},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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