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Title: Materials Data on KPPdS4 by Materials Project

Abstract

KPdPS4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.37 Å) and four longer (3.55 Å) K–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.35 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-866637
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; KPPdS4; K-P-Pd-S
OSTI Identifier:
1311635
DOI:
https://doi.org/10.17188/1311635

Citation Formats

The Materials Project. Materials Data on KPPdS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311635.
The Materials Project. Materials Data on KPPdS4 by Materials Project. United States. doi:https://doi.org/10.17188/1311635
The Materials Project. 2020. "Materials Data on KPPdS4 by Materials Project". United States. doi:https://doi.org/10.17188/1311635. https://www.osti.gov/servlets/purl/1311635. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1311635,
title = {Materials Data on KPPdS4 by Materials Project},
author = {The Materials Project},
abstractNote = {KPdPS4 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are four shorter (3.37 Å) and four longer (3.55 Å) K–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.35 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.36 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids. In the second S2- site, S2- is bonded to two equivalent K1+, one Pd2+, and one P5+ atom to form a mixture of distorted corner and edge-sharing SK2PPd trigonal pyramids.},
doi = {10.17188/1311635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}