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Title: Materials Data on PdS by Materials Project

Abstract

PdS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.34 Å. S2- is bonded to four Pd2+ atoms to form a mixture of distorted corner and edge-sharing SPd4 trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-20250
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; PdS; Pd-S
OSTI Identifier:
1195383
DOI:
10.17188/1195383

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PdS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195383.
Persson, Kristin, & Project, Materials. Materials Data on PdS by Materials Project. United States. doi:10.17188/1195383.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PdS by Materials Project". United States. doi:10.17188/1195383. https://www.osti.gov/servlets/purl/1195383. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195383,
title = {Materials Data on PdS by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PdS crystallizes in the tetragonal P4_2/m space group. The structure is three-dimensional. there are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.37 Å. In the third Pd2+ site, Pd2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.34 Å. S2- is bonded to four Pd2+ atoms to form a mixture of distorted corner and edge-sharing SPd4 trigonal pyramids.},
doi = {10.17188/1195383},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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