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Title: Materials Data on K2TaCl6 by Materials Project

Abstract

K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.

Publication Date:
Other Number(s):
mp-31363
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; K2TaCl6; Cl-K-Ta
OSTI Identifier:
1205610
DOI:
10.17188/1205610

Citation Formats

The Materials Project. Materials Data on K2TaCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205610.
The Materials Project. Materials Data on K2TaCl6 by Materials Project. United States. doi:10.17188/1205610.
The Materials Project. 2020. "Materials Data on K2TaCl6 by Materials Project". United States. doi:10.17188/1205610. https://www.osti.gov/servlets/purl/1205610. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205610,
title = {Materials Data on K2TaCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {K2TaCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with four equivalent TaCl6 octahedra. All K–Cl bond lengths are 3.58 Å. Ta4+ is bonded to six equivalent Cl1- atoms to form TaCl6 octahedra that share faces with eight equivalent KCl12 cuboctahedra. All Ta–Cl bond lengths are 2.42 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent K1+ and one Ta4+ atom.},
doi = {10.17188/1205610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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