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Title: Materials Data on HfTiF6 by Materials Project

Abstract

HfTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–F bond lengths are 1.96 Å. Ti2+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.93 Å. F1- is bonded in a linear geometry to one Hf4+ and one Ti2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-37737
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; HfTiF6; F-Hf-Ti
OSTI Identifier:
1207408
DOI:
10.17188/1207408

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on HfTiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207408.
Persson, Kristin, & Project, Materials. Materials Data on HfTiF6 by Materials Project. United States. doi:10.17188/1207408.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on HfTiF6 by Materials Project". United States. doi:10.17188/1207408. https://www.osti.gov/servlets/purl/1207408. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1207408,
title = {Materials Data on HfTiF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {HfTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent F1- atoms to form HfF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–F bond lengths are 1.96 Å. Ti2+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent HfF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 1.93 Å. F1- is bonded in a linear geometry to one Hf4+ and one Ti2+ atom.},
doi = {10.17188/1207408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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