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Title: Materials Data on K3SiTe3 by Materials Project

Abstract

(K)3SiTe3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve potassium molecules and two SiTe3 clusters. In each SiTe3 cluster, Si4- is bonded in a tetrahedral geometry to one Si4- and three Te+0.33+ atoms. The Si–Si bond length is 2.41 Å. There are two shorter (2.54 Å) and one longer (2.55 Å) Si–Te bond lengths. There are two inequivalent Te+0.33+ sites. In the first Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the second Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom.

Publication Date:
Other Number(s):
mp-7657
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; K3SiTe3; K-Si-Te
OSTI Identifier:
1296212
DOI:
10.17188/1296212

Citation Formats

The Materials Project. Materials Data on K3SiTe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1296212.
The Materials Project. Materials Data on K3SiTe3 by Materials Project. United States. doi:10.17188/1296212.
The Materials Project. 2020. "Materials Data on K3SiTe3 by Materials Project". United States. doi:10.17188/1296212. https://www.osti.gov/servlets/purl/1296212. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1296212,
title = {Materials Data on K3SiTe3 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)3SiTe3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve potassium molecules and two SiTe3 clusters. In each SiTe3 cluster, Si4- is bonded in a tetrahedral geometry to one Si4- and three Te+0.33+ atoms. The Si–Si bond length is 2.41 Å. There are two shorter (2.54 Å) and one longer (2.55 Å) Si–Te bond lengths. There are two inequivalent Te+0.33+ sites. In the first Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the second Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom.},
doi = {10.17188/1296212},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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