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Title: Materials Data on VH8N2O5F by Materials Project

Abstract

VO5F(NH4)2 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ammonium molecules and two VO5F ribbons oriented in the (0, 0, 1) direction. In each VO5F ribbon, V5+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of V–O bond distances ranging from 1.66–2.49 Å. The V–F bond length is 1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.47 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent V5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. F1- is bonded in a single-bond geometry to one V5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-744534
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VH8N2O5F; F-H-N-O-V
OSTI Identifier:
1288272
DOI:
https://doi.org/10.17188/1288272

Citation Formats

The Materials Project. Materials Data on VH8N2O5F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1288272.
The Materials Project. Materials Data on VH8N2O5F by Materials Project. United States. doi:https://doi.org/10.17188/1288272
The Materials Project. 2020. "Materials Data on VH8N2O5F by Materials Project". United States. doi:https://doi.org/10.17188/1288272. https://www.osti.gov/servlets/purl/1288272. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1288272,
title = {Materials Data on VH8N2O5F by Materials Project},
author = {The Materials Project},
abstractNote = {VO5F(NH4)2 is Iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of eight ammonium molecules and two VO5F ribbons oriented in the (0, 0, 1) direction. In each VO5F ribbon, V5+ is bonded in a 7-coordinate geometry to six O2- and one F1- atom. There are a spread of V–O bond distances ranging from 1.66–2.49 Å. The V–F bond length is 1.95 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.46 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. The O–O bond length is 1.47 Å. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to two equivalent V5+ atoms. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one O2- atom. F1- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1288272},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}