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Title: Materials Data on Pd16S7 by Materials Project

Abstract

Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-393
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; Pd16S7; Pd-S
OSTI Identifier:
1207641
DOI:
10.17188/1207641

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pd16S7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207641.
Persson, Kristin, & Project, Materials. Materials Data on Pd16S7 by Materials Project. United States. doi:10.17188/1207641.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pd16S7 by Materials Project". United States. doi:10.17188/1207641. https://www.osti.gov/servlets/purl/1207641. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1207641,
title = {Materials Data on Pd16S7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pd16S7 crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two Pd16S7 frameworks. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a linear geometry to two S atoms. There are one shorter (2.29 Å) and one longer (2.34 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a distorted trigonal non-coplanar geometry to three equivalent S atoms. All Pd–S bond lengths are 2.51 Å. There are two inequivalent S sites. In the first S site, S is bonded to four equivalent Pd atoms to form distorted corner-sharing SPd4 trigonal pyramids. In the second S site, S is bonded to six Pd atoms to form distorted SPd6 pentagonal pyramids that share corners with three equivalent SPd4 trigonal pyramids and edges with three equivalent SPd6 pentagonal pyramids.},
doi = {10.17188/1207641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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