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Title: Materials Data on NdAs2Au by Materials Project

Abstract

NdAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Nd–As bond distances ranging from 3.03–3.26 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are three shorter (2.81 Å) and one longer (2.83 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.64 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1186304
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; NdAs2Au; As-Au-Nd
OSTI Identifier:
1732019
DOI:
https://doi.org/10.17188/1732019

Citation Formats

The Materials Project. Materials Data on NdAs2Au by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732019.
The Materials Project. Materials Data on NdAs2Au by Materials Project. United States. doi:https://doi.org/10.17188/1732019
The Materials Project. 2020. "Materials Data on NdAs2Au by Materials Project". United States. doi:https://doi.org/10.17188/1732019. https://www.osti.gov/servlets/purl/1732019. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732019,
title = {Materials Data on NdAs2Au by Materials Project},
author = {The Materials Project},
abstractNote = {NdAuAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Nd–As bond distances ranging from 3.03–3.26 Å. Au3+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner and edge-sharing AuAs4 tetrahedra. There are three shorter (2.81 Å) and one longer (2.83 Å) Au–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two equivalent As3- atoms. Both As–As bond lengths are 2.64 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Au3+ atoms.},
doi = {10.17188/1732019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}