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Title: Materials Data on CsTaN2 by Materials Project

Abstract

CsTaN2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.46 Å) and four longer (3.70 Å) Cs–N bond lengths. Ta5+ is bonded to four equivalent N3- atoms to form corner-sharing TaN4 tetrahedra. All Ta–N bond lengths are 1.95 Å. N3- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-34293
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; CsTaN2; Cs-N-Ta
OSTI Identifier:
1206761
DOI:
https://doi.org/10.17188/1206761

Citation Formats

The Materials Project. Materials Data on CsTaN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206761.
The Materials Project. Materials Data on CsTaN2 by Materials Project. United States. doi:https://doi.org/10.17188/1206761
The Materials Project. 2020. "Materials Data on CsTaN2 by Materials Project". United States. doi:https://doi.org/10.17188/1206761. https://www.osti.gov/servlets/purl/1206761. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1206761,
title = {Materials Data on CsTaN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsTaN2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (3.46 Å) and four longer (3.70 Å) Cs–N bond lengths. Ta5+ is bonded to four equivalent N3- atoms to form corner-sharing TaN4 tetrahedra. All Ta–N bond lengths are 1.95 Å. N3- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1206761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}