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Title: Materials Data on Dy2Si3Pd by Materials Project

Abstract

Dy2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.

Authors:
Publication Date:
Other Number(s):
mp-1213111
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; Dy2Si3Pd; Dy-Pd-Si
OSTI Identifier:
1679897
DOI:
https://doi.org/10.17188/1679897

Citation Formats

The Materials Project. Materials Data on Dy2Si3Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679897.
The Materials Project. Materials Data on Dy2Si3Pd by Materials Project. United States. doi:https://doi.org/10.17188/1679897
The Materials Project. 2020. "Materials Data on Dy2Si3Pd by Materials Project". United States. doi:https://doi.org/10.17188/1679897. https://www.osti.gov/servlets/purl/1679897. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679897,
title = {Materials Data on Dy2Si3Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Pd and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing DySi8Pd4 cuboctahedra. There are two shorter (3.01 Å) and two longer (3.20 Å) Dy–Pd bond lengths. There are four shorter (3.04 Å) and four longer (3.15 Å) Dy–Si bond lengths. In the second Dy site, Dy is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing DySi12 cuboctahedra. There are six shorter (3.06 Å) and six longer (3.08 Å) Dy–Si bond lengths. Pd is bonded in a 3-coordinate geometry to six equivalent Dy and three equivalent Si atoms. All Pd–Si bond lengths are 2.41 Å. Si is bonded in a 1-coordinate geometry to six Dy, one Pd, and two equivalent Si atoms. Both Si–Si bond lengths are 2.36 Å.},
doi = {10.17188/1679897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}