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Title: Materials Data on Nd3(Si3Pd10)2 by Materials Project

Abstract

Nd3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to sixteen Pd atoms to form distorted NdPd16 tetrahedra that share edges with six equivalent NdPd16 tetrahedra and faces with four equivalent NdPd12 cuboctahedra. There are four shorter (2.91 Å) and twelve longer (3.38 Å) Nd–Pd bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Pd atoms to form distorted face-sharing NdPd12 cuboctahedra. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to three Nd and two equivalent Si atoms. Both Pd–Si bond lengths are 2.45 Å. In the second Pd site, Pd is bonded to one Nd and three equivalent Si atoms to form a mixture of edge and corner-sharing PdNdSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1209902
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; Nd3(Si3Pd10)2; Nd-Pd-Si
OSTI Identifier:
1758287
DOI:
https://doi.org/10.17188/1758287

Citation Formats

The Materials Project. Materials Data on Nd3(Si3Pd10)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758287.
The Materials Project. Materials Data on Nd3(Si3Pd10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758287
The Materials Project. 2020. "Materials Data on Nd3(Si3Pd10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758287. https://www.osti.gov/servlets/purl/1758287. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758287,
title = {Materials Data on Nd3(Si3Pd10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Pd20Si6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to sixteen Pd atoms to form distorted NdPd16 tetrahedra that share edges with six equivalent NdPd16 tetrahedra and faces with four equivalent NdPd12 cuboctahedra. There are four shorter (2.91 Å) and twelve longer (3.38 Å) Nd–Pd bond lengths. In the second Nd site, Nd is bonded to twelve equivalent Pd atoms to form distorted face-sharing NdPd12 cuboctahedra. All Nd–Pd bond lengths are 3.04 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 2-coordinate geometry to three Nd and two equivalent Si atoms. Both Pd–Si bond lengths are 2.45 Å. In the second Pd site, Pd is bonded to one Nd and three equivalent Si atoms to form a mixture of edge and corner-sharing PdNdSi3 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si is bonded in a 8-coordinate geometry to eight Pd atoms.},
doi = {10.17188/1758287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}