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Title: Materials Data on NdSi2 by Materials Project

Abstract

NdSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded to twelve Si atoms to form a mixture of face and edge-sharing NdSi12 cuboctahedra. There are four shorter (3.16 Å) and eight longer (3.19 Å) Nd–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. There are one shorter (2.38 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms.

Authors:
Publication Date:
Other Number(s):
mp-884
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; NdSi2; Nd-Si
OSTI Identifier:
1312760
DOI:
https://doi.org/10.17188/1312760

Citation Formats

The Materials Project. Materials Data on NdSi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1312760.
The Materials Project. Materials Data on NdSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1312760
The Materials Project. 2020. "Materials Data on NdSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1312760. https://www.osti.gov/servlets/purl/1312760. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1312760,
title = {Materials Data on NdSi2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded to twelve Si atoms to form a mixture of face and edge-sharing NdSi12 cuboctahedra. There are four shorter (3.16 Å) and eight longer (3.19 Å) Nd–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. There are one shorter (2.38 Å) and two longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms. The Si–Si bond length is 2.38 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to six equivalent Nd and three Si atoms.},
doi = {10.17188/1312760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}