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Title: Materials Data on ZrTiF6 by Materials Project

Abstract

ZrTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.08 Å. Ti4+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 2.05 Å. F1- is bonded in a linear geometry to one Zr2+ and one Ti4+ atom.

Publication Date:
Other Number(s):
mp-16548
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; ZrTiF6; F-Ti-Zr
OSTI Identifier:
1192028
DOI:
10.17188/1192028

Citation Formats

The Materials Project. Materials Data on ZrTiF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192028.
The Materials Project. Materials Data on ZrTiF6 by Materials Project. United States. doi:10.17188/1192028.
The Materials Project. 2020. "Materials Data on ZrTiF6 by Materials Project". United States. doi:10.17188/1192028. https://www.osti.gov/servlets/purl/1192028. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192028,
title = {Materials Data on ZrTiF6 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with six equivalent TiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–F bond lengths are 2.08 Å. Ti4+ is bonded to six equivalent F1- atoms to form TiF6 octahedra that share corners with six equivalent ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–F bond lengths are 2.05 Å. F1- is bonded in a linear geometry to one Zr2+ and one Ti4+ atom.},
doi = {10.17188/1192028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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