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Title: Materials Data on NdAlSi2 by Materials Project

Abstract

NdAlSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Nd–Si bond distances ranging from 3.08–3.17 Å. Al is bonded to four equivalent Si atoms to form a mixture of edge and corner-sharing AlSi4 tetrahedra. There are three shorter (2.50 Å) and one longer (2.57 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.42 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Nd and four equivalent Al atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207200
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; NdAlSi2; Al-Nd-Si
OSTI Identifier:
1663438
DOI:
https://doi.org/10.17188/1663438

Citation Formats

The Materials Project. Materials Data on NdAlSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663438.
The Materials Project. Materials Data on NdAlSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1663438
The Materials Project. 2020. "Materials Data on NdAlSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1663438. https://www.osti.gov/servlets/purl/1663438. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1663438,
title = {Materials Data on NdAlSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdAlSi2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to nine Si atoms. There are a spread of Nd–Si bond distances ranging from 3.08–3.17 Å. Al is bonded to four equivalent Si atoms to form a mixture of edge and corner-sharing AlSi4 tetrahedra. There are three shorter (2.50 Å) and one longer (2.57 Å) Al–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Si–Si bond lengths are 2.42 Å. In the second Si site, Si is bonded in a 7-coordinate geometry to three equivalent Nd and four equivalent Al atoms.},
doi = {10.17188/1663438},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}