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Title: Materials Data on KPt2Se3 by Materials Project

Abstract

KPt2Se3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2Se3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent Se+1.67- atoms. All K–Se bond lengths are 3.51 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.55 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.48 Å. Se+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted corner and edge-sharing SeKPt3 trigonal pyramids.

Publication Date:
Other Number(s):
mp-14796
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; KPt2Se3; K-Pt-Se
OSTI Identifier:
1190899
DOI:
10.17188/1190899

Citation Formats

The Materials Project. Materials Data on KPt2Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190899.
The Materials Project. Materials Data on KPt2Se3 by Materials Project. United States. doi:10.17188/1190899.
The Materials Project. 2020. "Materials Data on KPt2Se3 by Materials Project". United States. doi:10.17188/1190899. https://www.osti.gov/servlets/purl/1190899. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1190899,
title = {Materials Data on KPt2Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {KPt2Se3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three KPt2Se3 sheets oriented in the (0, 0, 1) direction. K1+ is bonded in a 9-coordinate geometry to three equivalent Se+1.67- atoms. All K–Se bond lengths are 3.51 Å. There are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.55 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se+1.67- atoms. All Pt–Se bond lengths are 2.48 Å. Se+1.67- is bonded to one K1+ and three Pt2+ atoms to form a mixture of distorted corner and edge-sharing SeKPt3 trigonal pyramids.},
doi = {10.17188/1190899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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