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Title: Materials Data on NbH8N2OF5 by Materials Project

Abstract

(NH4)2NbOF5 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of sixteen ammonium molecules and eight NbOF5 clusters. In each NbOF5 cluster, Nb5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The Nb–O bond length is 1.78 Å. There are a spread of Nb–F bond distances ranging from 1.97–2.20 Å. O2- is bonded in a single-bond geometry to one Nb5+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.

Publication Date:
Other Number(s):
mp-1203928
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; NbH8N2OF5; F-H-N-Nb-O
OSTI Identifier:
1729347
DOI:
https://doi.org/10.17188/1729347

Citation Formats

The Materials Project. Materials Data on NbH8N2OF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729347.
The Materials Project. Materials Data on NbH8N2OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1729347
The Materials Project. 2020. "Materials Data on NbH8N2OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1729347. https://www.osti.gov/servlets/purl/1729347. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1729347,
title = {Materials Data on NbH8N2OF5 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)2NbOF5 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of sixteen ammonium molecules and eight NbOF5 clusters. In each NbOF5 cluster, Nb5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The Nb–O bond length is 1.78 Å. There are a spread of Nb–F bond distances ranging from 1.97–2.20 Å. O2- is bonded in a single-bond geometry to one Nb5+ atom. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Nb5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Nb5+ atom.},
doi = {10.17188/1729347},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}