Materials Data on TaCuN2 by Materials Project
Abstract
CuTaN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form edge-sharing TaN6 octahedra. All Ta–N bond lengths are 2.11 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to three equivalent Ta5+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing NTa3Cu tetrahedra.
- 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:
- 1312834
- Report Number(s):
- mp-8927
- 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; TaCuN2; Cu-N-Ta
Citation Formats
The Materials Project. Materials Data on TaCuN2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1312834.
The Materials Project. Materials Data on TaCuN2 by Materials Project. United States. https://doi.org/10.17188/1312834
The Materials Project. 2017.
"Materials Data on TaCuN2 by Materials Project". United States. https://doi.org/10.17188/1312834. https://www.osti.gov/servlets/purl/1312834.
@article{osti_1312834,
title = {Materials Data on TaCuN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuTaN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form edge-sharing TaN6 octahedra. All Ta–N bond lengths are 2.11 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to three equivalent Ta5+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing NTa3Cu tetrahedra.},
doi = {10.17188/1312834},
url = {https://www.osti.gov/biblio/1312834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed May 10 00:00:00 EDT 2017},
month = {Wed May 10 00:00:00 EDT 2017}
}
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