U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiVCN by Materials Project
Abstract
TiVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ti4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form TiC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent TiC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Ti–C bond lengths are 2.12 Å. All Ti–N bond lengths are 2.14 Å. V3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent TiC3N3 octahedra, edges with six equivalent TiC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All V–C bond lengths are 2.07 Å. All V–N bond lengths are 2.12 Å. C4- is bonded to three equivalent Ti4+ and three equivalent V3+ atoms to form CTi3V3 octahedra that share corners with six equivalent NTi3V3 octahedra, edges with six equivalent CTi3V3 octahedra, and edges with six equivalent NTi3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. N3- is bonded to three equivalent Ti4+ and three equivalent V3+ atoms to form NTi3V3 octahedra that share corners withmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216717
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; TiVCN; C-N-Ti-V
- OSTI Identifier:
- 1740575
- DOI:
- https://doi.org/10.17188/1740575
Citation Formats
The Materials Project. Materials Data on TiVCN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740575.
The Materials Project. Materials Data on TiVCN by Materials Project. United States. doi:https://doi.org/10.17188/1740575
The Materials Project. 2020.
"Materials Data on TiVCN by Materials Project". United States. doi:https://doi.org/10.17188/1740575. https://www.osti.gov/servlets/purl/1740575. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740575,
title = {Materials Data on TiVCN by Materials Project},
author = {The Materials Project},
abstractNote = {TiVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ti4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form TiC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent TiC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Ti–C bond lengths are 2.12 Å. All Ti–N bond lengths are 2.14 Å. V3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent TiC3N3 octahedra, edges with six equivalent TiC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All V–C bond lengths are 2.07 Å. All V–N bond lengths are 2.12 Å. C4- is bonded to three equivalent Ti4+ and three equivalent V3+ atoms to form CTi3V3 octahedra that share corners with six equivalent NTi3V3 octahedra, edges with six equivalent CTi3V3 octahedra, and edges with six equivalent NTi3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. N3- is bonded to three equivalent Ti4+ and three equivalent V3+ atoms to form NTi3V3 octahedra that share corners with six equivalent CTi3V3 octahedra, edges with six equivalent CTi3V3 octahedra, and edges with six equivalent NTi3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.},
doi = {10.17188/1740575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}