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Title: Materials Data on GdOs2 by Materials Project

Abstract

GdOs2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Gd–Os bond distances ranging from 3.13–3.19 Å. There are three inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra. There are four shorter (2.73 Å) and two longer (2.74 Å) Os–Os bond lengths. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.59–2.76 Å. In the third Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510184
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; GdOs2; Gd-Os
OSTI Identifier:
1262849
DOI:
10.17188/1262849

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on GdOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262849.
Persson, Kristin, & Project, Materials. Materials Data on GdOs2 by Materials Project. United States. doi:10.17188/1262849.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on GdOs2 by Materials Project". United States. doi:10.17188/1262849. https://www.osti.gov/servlets/purl/1262849. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262849,
title = {Materials Data on GdOs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {GdOs2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd3+ is bonded in a 12-coordinate geometry to twelve Os+1.50- atoms. There are a spread of Gd–Os bond distances ranging from 3.13–3.19 Å. There are three inequivalent Os+1.50- sites. In the first Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra. There are four shorter (2.73 Å) and two longer (2.74 Å) Os–Os bond lengths. In the second Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra. There are a spread of Os–Os bond distances ranging from 2.59–2.76 Å. In the third Os+1.50- site, Os+1.50- is bonded to six equivalent Gd3+ and six Os+1.50- atoms to form a mixture of corner, edge, and face-sharing OsGd6Os6 cuboctahedra.},
doi = {10.17188/1262849},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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