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Title: Materials Data on BaPt2S3 by Materials Project

Abstract

BaPt2S3 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing BaS6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Ba–S bond distances ranging from 3.21–3.57 Å. Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are a spread of Pt–S bond distances ranging from 2.32–2.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Pt2+ atoms to form distorted corner-sharing SPt4 tetrahedra. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Pt2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29289
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; BaPt2S3; Ba-Pt-S
OSTI Identifier:
1203656
DOI:
https://doi.org/10.17188/1203656

Citation Formats

The Materials Project. Materials Data on BaPt2S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203656.
The Materials Project. Materials Data on BaPt2S3 by Materials Project. United States. doi:https://doi.org/10.17188/1203656
The Materials Project. 2020. "Materials Data on BaPt2S3 by Materials Project". United States. doi:https://doi.org/10.17188/1203656. https://www.osti.gov/servlets/purl/1203656. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203656,
title = {Materials Data on BaPt2S3 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPt2S3 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent S2- atoms to form a mixture of distorted edge and corner-sharing BaS6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are a spread of Ba–S bond distances ranging from 3.21–3.57 Å. Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are a spread of Pt–S bond distances ranging from 2.32–2.36 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Pt2+ atoms to form distorted corner-sharing SPt4 tetrahedra. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Pt2+ atoms.},
doi = {10.17188/1203656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}