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Title: Materials Data on ZrF4 by Materials Project

Abstract

ZrF4 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ZrF4 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six F1- atoms to form corner-sharing ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.12 Å) Zr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-34260
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; ZrF4; F-Zr
OSTI Identifier:
1206751
DOI:
10.17188/1206751

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206751.
Persson, Kristin, & Project, Materials. Materials Data on ZrF4 by Materials Project. United States. doi:10.17188/1206751.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZrF4 by Materials Project". United States. doi:10.17188/1206751. https://www.osti.gov/servlets/purl/1206751. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1206751,
title = {Materials Data on ZrF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrF4 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ZrF4 sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to six F1- atoms to form corner-sharing ZrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.95 Å) and four longer (2.12 Å) Zr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Zr4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1206751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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