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Title: Materials Data on DyAu6 by Materials Project

Abstract

Au6Dy crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Dy–Au bond distances ranging from 3.03–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Dy3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Dy3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.94 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Dy3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Dy3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.86 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Dy3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.10 Å.

Authors:
Publication Date:
Other Number(s):
mp-1199277
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; DyAu6; Au-Dy
OSTI Identifier:
1740967
DOI:
https://doi.org/10.17188/1740967

Citation Formats

The Materials Project. Materials Data on DyAu6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740967.
The Materials Project. Materials Data on DyAu6 by Materials Project. United States. doi:https://doi.org/10.17188/1740967
The Materials Project. 2020. "Materials Data on DyAu6 by Materials Project". United States. doi:https://doi.org/10.17188/1740967. https://www.osti.gov/servlets/purl/1740967. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1740967,
title = {Materials Data on DyAu6 by Materials Project},
author = {The Materials Project},
abstractNote = {Au6Dy crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Dy3+ is bonded in a 5-coordinate geometry to fifteen Au+0.50- atoms. There are a spread of Dy–Au bond distances ranging from 3.03–3.48 Å. There are five inequivalent Au+0.50- sites. In the first Au+0.50- site, Au+0.50- is bonded in a 2-coordinate geometry to three equivalent Dy3+ and five Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.15 Å. In the second Au+0.50- site, Au+0.50- is bonded in a distorted bent 120 degrees geometry to three equivalent Dy3+ and four Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.89–2.94 Å. In the third Au+0.50- site, Au+0.50- is bonded in a 10-coordinate geometry to two equivalent Dy3+ and eight Au+0.50- atoms. In the fourth Au+0.50- site, Au+0.50- is bonded in a distorted linear geometry to two equivalent Dy3+ and four equivalent Au+0.50- atoms. All Au–Au bond lengths are 2.86 Å. In the fifth Au+0.50- site, Au+0.50- is bonded in a 12-coordinate geometry to two equivalent Dy3+ and ten Au+0.50- atoms. There are a spread of Au–Au bond distances ranging from 2.87–3.10 Å.},
doi = {10.17188/1740967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}