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Title: Materials Data on Nd2Si3Pd by Materials Project

Abstract

Nd2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Pd4 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.23 Å) Nd–Pd bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing NdSi12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.19 Å) Nd–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Pd–Si bond lengths are 2.39 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

Authors:
Publication Date:
Other Number(s):
mp-1210018
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; Nd2Si3Pd; Nd-Pd-Si
OSTI Identifier:
1655303
DOI:
https://doi.org/10.17188/1655303

Citation Formats

The Materials Project. Materials Data on Nd2Si3Pd by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655303.
The Materials Project. Materials Data on Nd2Si3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1655303
The Materials Project. 2019. "Materials Data on Nd2Si3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1655303. https://www.osti.gov/servlets/purl/1655303. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1655303,
title = {Materials Data on Nd2Si3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of edge and face-sharing NdSi8Pd4 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.23 Å) Nd–Pd bond lengths. There are four shorter (3.19 Å) and four longer (3.21 Å) Nd–Si bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing NdSi12 cuboctahedra. There are six shorter (3.18 Å) and six longer (3.19 Å) Nd–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Nd and three equivalent Si atoms. All Pd–Si bond lengths are 2.39 Å. Si is bonded in a 1-coordinate geometry to six Nd, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.},
doi = {10.17188/1655303},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}