skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on TaN3O8 by Materials Project

Abstract

(TaO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two TaO8 clusters. In each TaO8 cluster, Ta5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. All Ta–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom.

Publication Date:
Other Number(s):
mp-1208577
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; TaN3O8; N-O-Ta
OSTI Identifier:
1741829
DOI:
https://doi.org/10.17188/1741829

Citation Formats

The Materials Project. Materials Data on TaN3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741829.
The Materials Project. Materials Data on TaN3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1741829
The Materials Project. 2020. "Materials Data on TaN3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1741829. https://www.osti.gov/servlets/purl/1741829. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1741829,
title = {Materials Data on TaN3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {(TaO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two TaO8 clusters. In each TaO8 cluster, Ta5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. All Ta–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom. The O–O bond length is 1.39 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Ta5+ and one O2- atom.},
doi = {10.17188/1741829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}