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Title: Materials Data on ZnWF4 by Materials Project

Abstract

WZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.03 Å. In the second W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are one shorter (2.02 Å) and three longer (2.03 Å) W–F bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.53–2.60 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.49–2.60 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+more » and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms.« less

Publication Date:
Other Number(s):
mvc-14339
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; ZnWF4; F-W-Zn
OSTI Identifier:
1319113
DOI:
https://doi.org/10.17188/1319113

Citation Formats

The Materials Project. Materials Data on ZnWF4 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1319113.
The Materials Project. Materials Data on ZnWF4 by Materials Project. United States. doi:https://doi.org/10.17188/1319113
The Materials Project. 2014. "Materials Data on ZnWF4 by Materials Project". United States. doi:https://doi.org/10.17188/1319113. https://www.osti.gov/servlets/purl/1319113. Pub date:Thu Feb 06 00:00:00 EST 2014
@article{osti_1319113,
title = {Materials Data on ZnWF4 by Materials Project},
author = {The Materials Project},
abstractNote = {WZnF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. All W–F bond lengths are 2.03 Å. In the second W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are one shorter (2.02 Å) and three longer (2.03 Å) W–F bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.53–2.60 Å. In the second Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zn–F bond distances ranging from 2.49–2.60 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the seventh F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to one W2+ and two Zn2+ atoms.},
doi = {10.17188/1319113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}