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Title: Materials Data on K2TaHgF6 by Materials Project

Abstract

(K)2TaHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TaHgF6 framework. In the TaHgF6 framework, Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.99 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.95 Å. F1- is bonded in a distorted single-bond geometry to one Ta3+ and one Hg1+ atom.

Publication Date:
Other Number(s):
mp-1112194
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; K2TaHgF6; F-Hg-K-Ta
OSTI Identifier:
1749679
DOI:
https://doi.org/10.17188/1749679

Citation Formats

The Materials Project. Materials Data on K2TaHgF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749679.
The Materials Project. Materials Data on K2TaHgF6 by Materials Project. United States. doi:https://doi.org/10.17188/1749679
The Materials Project. 2020. "Materials Data on K2TaHgF6 by Materials Project". United States. doi:https://doi.org/10.17188/1749679. https://www.osti.gov/servlets/purl/1749679. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749679,
title = {Materials Data on K2TaHgF6 by Materials Project},
author = {The Materials Project},
abstractNote = {(K)2TaHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one TaHgF6 framework. In the TaHgF6 framework, Ta3+ is bonded to six equivalent F1- atoms to form TaF6 octahedra that share corners with six equivalent HgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–F bond lengths are 1.99 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent TaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.95 Å. F1- is bonded in a distorted single-bond geometry to one Ta3+ and one Hg1+ atom.},
doi = {10.17188/1749679},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}