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Title: Materials Data on Ta4N5 by Materials Project

Abstract

Ta4N5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ta+3.75+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Ta–N bond distances ranging from 2.09–2.23 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Ta+3.75+ atoms. In the second N3- site, N3- is bonded to five equivalent Ta+3.75+ atoms to form a mixture of corner and edge-sharing NTa5 square pyramids.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1307911
Report Number(s):
mp-8046
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ta4N5; N-Ta

Citation Formats

The Materials Project. Materials Data on Ta4N5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1307911.
The Materials Project. Materials Data on Ta4N5 by Materials Project. United States. https://doi.org/10.17188/1307911
The Materials Project. Sat . "Materials Data on Ta4N5 by Materials Project". United States. https://doi.org/10.17188/1307911. https://www.osti.gov/servlets/purl/1307911.
@article{osti_1307911,
title = {Materials Data on Ta4N5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta4N5 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Ta+3.75+ is bonded to six N3- atoms to form a mixture of corner and edge-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. There are a spread of Ta–N bond distances ranging from 2.09–2.23 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Ta+3.75+ atoms. In the second N3- site, N3- is bonded to five equivalent Ta+3.75+ atoms to form a mixture of corner and edge-sharing NTa5 square pyramids.},
doi = {10.17188/1307911},
url = {https://www.osti.gov/biblio/1307911}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}