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Title: Materials Data on YbCuAs2 by Materials Project

Abstract

YbCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.00 Å) and four longer (3.14 Å) Yb–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.46 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent As2- atoms. All As–As bond lengths are 2.80 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-542132
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; YbCuAs2; As-Cu-Yb
OSTI Identifier:
1266423
DOI:
10.17188/1266423

Citation Formats

The Materials Project. Materials Data on YbCuAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266423.
The Materials Project. Materials Data on YbCuAs2 by Materials Project. United States. doi:10.17188/1266423.
The Materials Project. 2020. "Materials Data on YbCuAs2 by Materials Project". United States. doi:10.17188/1266423. https://www.osti.gov/servlets/purl/1266423. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1266423,
title = {Materials Data on YbCuAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {YbCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.00 Å) and four longer (3.14 Å) Yb–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.46 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent As2- atoms. All As–As bond lengths are 2.80 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Yb3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1266423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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