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Title: Materials Data on KPPbS4 by Materials Project

Abstract

KPbPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.70 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.94–3.47 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one K1+, three equivalent Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent K1+, one Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent K1+, two equivalent Pb2+, and one P5+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1279769
Report Number(s):
mp-638150
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KPPbS4; K-P-Pb-S

Citation Formats

The Materials Project. Materials Data on KPPbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279769.
The Materials Project. Materials Data on KPPbS4 by Materials Project. United States. https://doi.org/10.17188/1279769
The Materials Project. 2020. "Materials Data on KPPbS4 by Materials Project". United States. https://doi.org/10.17188/1279769. https://www.osti.gov/servlets/purl/1279769.
@article{osti_1279769,
title = {Materials Data on KPPbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {KPbPS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.38–3.70 Å. Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.94–3.47 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one K1+, three equivalent Pb2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent K1+, one Pb2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to two equivalent K1+, two equivalent Pb2+, and one P5+ atom.},
doi = {10.17188/1279769},
url = {https://www.osti.gov/biblio/1279769}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}