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

Title: Materials Data on NdAs2 by Materials Project

Abstract

NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.

Publication Date:
Other Number(s):
mp-13961
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; NdAs2; As-Nd
OSTI Identifier:
1189842
DOI:
https://doi.org/10.17188/1189842

Citation Formats

The Materials Project. Materials Data on NdAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189842.
The Materials Project. Materials Data on NdAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1189842
The Materials Project. 2020. "Materials Data on NdAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1189842. https://www.osti.gov/servlets/purl/1189842. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1189842,
title = {Materials Data on NdAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Nd–As bond distances ranging from 3.02–3.23 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Nd3+ and one As+1.50- atom to form a mixture of distorted corner and edge-sharing AsNd5As pentagonal pyramids. The As–As bond length is 2.51 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Nd3+ and two As+1.50- atoms. The As–As bond length is 2.54 Å.},
doi = {10.17188/1189842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}