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Title: Materials Data on K2TeBr6 by Materials Project

Abstract

K2TeBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.72 Å. Te4+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Te–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-22963
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; K2TeBr6; Br-K-Te
OSTI Identifier:
1199119
DOI:
10.17188/1199119

Citation Formats

The Materials Project. Materials Data on K2TeBr6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199119.
The Materials Project. Materials Data on K2TeBr6 by Materials Project. United States. doi:10.17188/1199119.
The Materials Project. 2020. "Materials Data on K2TeBr6 by Materials Project". United States. doi:10.17188/1199119. https://www.osti.gov/servlets/purl/1199119. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199119,
title = {Materials Data on K2TeBr6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TeBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.72 Å. Te4+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Te–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom.},
doi = {10.17188/1199119},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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