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Title: Materials Data on TaTi2N3 by Materials Project

Abstract

Ti2TaN3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TiN6 pentagonal pyramids. All Ti–N bond lengths are 2.05 Å. Ta3+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ta–N bond lengths are 2.52 Å. N3- is bonded to four equivalent Ti3+ and two equivalent Ta3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTa2Ti4 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1019273
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; TaTi2N3; N-Ta-Ti
OSTI Identifier:
1350832
DOI:
10.17188/1350832

Citation Formats

The Materials Project. Materials Data on TaTi2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350832.
The Materials Project. Materials Data on TaTi2N3 by Materials Project. United States. doi:10.17188/1350832.
The Materials Project. 2020. "Materials Data on TaTi2N3 by Materials Project". United States. doi:10.17188/1350832. https://www.osti.gov/servlets/purl/1350832. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350832,
title = {Materials Data on TaTi2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2TaN3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TiN6 pentagonal pyramids. All Ti–N bond lengths are 2.05 Å. Ta3+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ta–N bond lengths are 2.52 Å. N3- is bonded to four equivalent Ti3+ and two equivalent Ta3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTa2Ti4 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1350832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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