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Title: Materials Data on YTcN3 by Materials Project

Abstract

YTcN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. Tc6+ is bonded to six N3- atoms to form distorted corner-sharing TcN6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Tc–N bond distances ranging from 2.04–2.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Tc6+, and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded to three equivalent Y3+ and two equivalent Tc6+ atoms to form corner-sharing NY3Tc2 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-989557
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; YTcN3; N-Tc-Y
OSTI Identifier:
1316856
DOI:
https://doi.org/10.17188/1316856

Citation Formats

The Materials Project. Materials Data on YTcN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316856.
The Materials Project. Materials Data on YTcN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316856
The Materials Project. 2020. "Materials Data on YTcN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316856. https://www.osti.gov/servlets/purl/1316856. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1316856,
title = {Materials Data on YTcN3 by Materials Project},
author = {The Materials Project},
abstractNote = {YTcN3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Y–N bond distances ranging from 2.37–2.51 Å. Tc6+ is bonded to six N3- atoms to form distorted corner-sharing TcN6 octahedra. The corner-sharing octahedra tilt angles range from 6–22°. There are a spread of Tc–N bond distances ranging from 2.04–2.18 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to two equivalent Y3+, two equivalent Tc6+, and one N3- atom. The N–N bond length is 1.33 Å. In the second N3- site, N3- is bonded to three equivalent Y3+ and two equivalent Tc6+ atoms to form corner-sharing NY3Tc2 trigonal bipyramids.},
doi = {10.17188/1316856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}