skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on HoCuAs2 by Materials Project

Abstract

HoCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.93 Å) and four longer (3.03 Å) Ho–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of corner and edge-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 Ho3+ and four equivalent As2- atoms. All As–As bond lengths are 2.76 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Cu1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-21364
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; HoCuAs2; As-Cu-Ho
OSTI Identifier:
1196809
DOI:
10.17188/1196809

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HoCuAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196809.
Persson, Kristin, & Project, Materials. Materials Data on HoCuAs2 by Materials Project. United States. doi:10.17188/1196809.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HoCuAs2 by Materials Project". United States. doi:10.17188/1196809. https://www.osti.gov/servlets/purl/1196809. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1196809,
title = {Materials Data on HoCuAs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HoCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (2.93 Å) and four longer (3.03 Å) Ho–As bond lengths. Cu1+ is bonded to four equivalent As2- atoms to form a mixture of corner and edge-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 Ho3+ and four equivalent As2- atoms. All As–As bond lengths are 2.76 Å. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1196809},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: