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Title: Materials Data on ErCuAs2 by Materials Project

Abstract

ErCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.92 Å) and four longer (3.04 Å) Er–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 2.52 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent As2- atoms. All As–As bond lengths are 2.75 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Cu1+ atoms.

Publication Date:
Other Number(s):
mp-10993
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; ErCuAs2; As-Cu-Er
OSTI Identifier:
1187504
DOI:
https://doi.org/10.17188/1187504

Citation Formats

The Materials Project. Materials Data on ErCuAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187504.
The Materials Project. Materials Data on ErCuAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1187504
The Materials Project. 2020. "Materials Data on ErCuAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1187504. https://www.osti.gov/servlets/purl/1187504. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187504,
title = {Materials Data on ErCuAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {ErCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.92 Å) and four longer (3.04 Å) Er–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 2.52 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent As2- atoms. All As–As bond lengths are 2.75 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1187504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}