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Title: Materials Data on Pt5Se4 by Materials Project

Abstract

Pt5Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pt+1.60+ sites. In the first Pt+1.60+ site, Pt+1.60+ is bonded in a T-shaped geometry to three Se2- atoms. There are a spread of Pt–Se bond distances ranging from 2.48–2.52 Å. In the second Pt+1.60+ site, Pt+1.60+ is bonded to four Se2- atoms to form distorted corner-sharing PtSe4 trigonal pyramids. There are a spread of Pt–Se bond distances ranging from 2.47–2.64 Å. In the third Pt+1.60+ site, Pt+1.60+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Pt–Se bond lengths are 2.46 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Pt+1.60+ atoms to form distorted corner-sharing SePt4 tetrahedra. In the second Se2- site, Se2- is bonded to four Pt+1.60+ atoms to form a mixture of distorted corner and edge-sharing SePt4 tetrahedra.

Publication Date:
Other Number(s):
mp-29767
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; Pt5Se4; Pt-Se
OSTI Identifier:
1204229
DOI:
10.17188/1204229

Citation Formats

The Materials Project. Materials Data on Pt5Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204229.
The Materials Project. Materials Data on Pt5Se4 by Materials Project. United States. doi:10.17188/1204229.
The Materials Project. 2020. "Materials Data on Pt5Se4 by Materials Project". United States. doi:10.17188/1204229. https://www.osti.gov/servlets/purl/1204229. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204229,
title = {Materials Data on Pt5Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt5Se4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pt+1.60+ sites. In the first Pt+1.60+ site, Pt+1.60+ is bonded in a T-shaped geometry to three Se2- atoms. There are a spread of Pt–Se bond distances ranging from 2.48–2.52 Å. In the second Pt+1.60+ site, Pt+1.60+ is bonded to four Se2- atoms to form distorted corner-sharing PtSe4 trigonal pyramids. There are a spread of Pt–Se bond distances ranging from 2.47–2.64 Å. In the third Pt+1.60+ site, Pt+1.60+ is bonded in a linear geometry to two equivalent Se2- atoms. Both Pt–Se bond lengths are 2.46 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four Pt+1.60+ atoms to form distorted corner-sharing SePt4 tetrahedra. In the second Se2- site, Se2- is bonded to four Pt+1.60+ atoms to form a mixture of distorted corner and edge-sharing SePt4 tetrahedra.},
doi = {10.17188/1204229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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