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Title: Materials Data on Na2PtS2 by Materials Project

Abstract

Na2PtS2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.94–3.26 Å. In the second Na1+ site, Na1+ is bonded to five S2- atoms to form distorted corner-sharing NaS5 trigonal bipyramids. There are a spread of Na–S bond distances ranging from 2.85–3.01 Å. Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pt–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pt2+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pt2+ atoms.

Publication Date:
Other Number(s):
mp-10246
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; Na2PtS2; Na-Pt-S
OSTI Identifier:
1186845
DOI:
https://doi.org/10.17188/1186845

Citation Formats

The Materials Project. Materials Data on Na2PtS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186845.
The Materials Project. Materials Data on Na2PtS2 by Materials Project. United States. doi:https://doi.org/10.17188/1186845
The Materials Project. 2020. "Materials Data on Na2PtS2 by Materials Project". United States. doi:https://doi.org/10.17188/1186845. https://www.osti.gov/servlets/purl/1186845. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186845,
title = {Materials Data on Na2PtS2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PtS2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.94–3.26 Å. In the second Na1+ site, Na1+ is bonded to five S2- atoms to form distorted corner-sharing NaS5 trigonal bipyramids. There are a spread of Na–S bond distances ranging from 2.85–3.01 Å. Pt2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.37 Å) and two longer (2.38 Å) Pt–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Pt2+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent Pt2+ atoms.},
doi = {10.17188/1186845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}