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

Title: Materials Data on Nd(NiAs)2 by Materials Project

Abstract

Nd(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Nd–As bond lengths are 3.19 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.66 Å.

Publication Date:
Other Number(s):
mp-567723
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; Nd(NiAs)2; As-Nd-Ni
OSTI Identifier:
1274012
DOI:
10.17188/1274012

Citation Formats

The Materials Project. Materials Data on Nd(NiAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274012.
The Materials Project. Materials Data on Nd(NiAs)2 by Materials Project. United States. doi:10.17188/1274012.
The Materials Project. 2020. "Materials Data on Nd(NiAs)2 by Materials Project". United States. doi:10.17188/1274012. https://www.osti.gov/servlets/purl/1274012. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274012,
title = {Materials Data on Nd(NiAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd3+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Nd–As bond lengths are 3.19 Å. Ni+1.50+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.37 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Nd3+, four equivalent Ni+1.50+, and one As3- atom. The As–As bond length is 2.66 Å.},
doi = {10.17188/1274012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: