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

Abstract

NdAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent Si4- atoms to form NdSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent NdSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Nd–Si bond lengths are 3.05 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent NdSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent NdSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are three shorter (2.52 Å) and one longer (2.53 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Nd2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiNd3Al4 pentagonal bipyramids.

Publication Date:
Other Number(s):
mp-1206993
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(AlSi)2; Al-Nd-Si
OSTI Identifier:
1676763
DOI:
https://doi.org/10.17188/1676763

Citation Formats

The Materials Project. Materials Data on Nd(AlSi)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676763.
The Materials Project. Materials Data on Nd(AlSi)2 by Materials Project. United States. doi:https://doi.org/10.17188/1676763
The Materials Project. 2020. "Materials Data on Nd(AlSi)2 by Materials Project". United States. doi:https://doi.org/10.17188/1676763. https://www.osti.gov/servlets/purl/1676763. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1676763,
title = {Materials Data on Nd(AlSi)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd2+ is bonded to six equivalent Si4- atoms to form NdSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent NdSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Nd–Si bond lengths are 3.05 Å. Al3+ is bonded to four equivalent Si4- atoms to form AlSi4 tetrahedra that share corners with six equivalent NdSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent NdSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–53°. There are three shorter (2.52 Å) and one longer (2.53 Å) Al–Si bond lengths. Si4- is bonded to three equivalent Nd2+ and four equivalent Al3+ atoms to form a mixture of distorted edge and corner-sharing SiNd3Al4 pentagonal bipyramids.},
doi = {10.17188/1676763},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}