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Title: Materials Data on VZnF5 by Materials Project

Abstract

VZnF5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VZnF5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 2.07–2.23 Å. In the second V3+ site, V3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of V–F bond distances ranging from 1.66–2.03 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.52–2.47 Å. In the second Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.50–2.47 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one V3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one V3+ and one Zn2+ atom. In the third F1- site, F1- ismore » bonded in a linear geometry to one V3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to one V3+ and one Zn2+ atom. In the sixth F1- site, F1- is bonded in a water-like geometry to one V3+ and one Zn2+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one V3+ and one Zn2+ atom. In the eighth F1- site, F1- is bonded in a water-like geometry to one V3+ and one Zn2+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom.« less

Publication Date:
Other Number(s):
mvc-14333
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; VZnF5; F-V-Zn
OSTI Identifier:
1319110
DOI:
10.17188/1319110

Citation Formats

The Materials Project. Materials Data on VZnF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319110.
The Materials Project. Materials Data on VZnF5 by Materials Project. United States. doi:10.17188/1319110.
The Materials Project. 2020. "Materials Data on VZnF5 by Materials Project". United States. doi:10.17188/1319110. https://www.osti.gov/servlets/purl/1319110. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1319110,
title = {Materials Data on VZnF5 by Materials Project},
author = {The Materials Project},
abstractNote = {VZnF5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VZnF5 sheet oriented in the (-1, 0, 1) direction. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 2.07–2.23 Å. In the second V3+ site, V3+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of V–F bond distances ranging from 1.66–2.03 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.52–2.47 Å. In the second Zn2+ site, Zn2+ is bonded in a 1-coordinate geometry to five F1- atoms. There are a spread of Zn–F bond distances ranging from 1.50–2.47 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one V3+ and one Zn2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one V3+ and one Zn2+ atom. In the third F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to one V3+ and one Zn2+ atom. In the sixth F1- site, F1- is bonded in a water-like geometry to one V3+ and one Zn2+ atom. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to one V3+ and one Zn2+ atom. In the eighth F1- site, F1- is bonded in a water-like geometry to one V3+ and one Zn2+ atom. In the ninth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom. In the tenth F1- site, F1- is bonded in a linear geometry to one V3+ and one Zn2+ atom.},
doi = {10.17188/1319110},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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