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Title: Materials Data on ZrF4 by Materials Project

Abstract

ZrF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.06–2.24 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-1105223
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:
1684479
DOI:
https://doi.org/10.17188/1684479

Citation Formats

The Materials Project. Materials Data on ZrF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684479.
The Materials Project. Materials Data on ZrF4 by Materials Project. United States. doi:https://doi.org/10.17188/1684479
The Materials Project. 2020. "Materials Data on ZrF4 by Materials Project". United States. doi:https://doi.org/10.17188/1684479. https://www.osti.gov/servlets/purl/1684479. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1684479,
title = {Materials Data on ZrF4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.06–2.24 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Zr4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent Zr4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1684479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}