U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti2InN by Materials Project
Abstract
Ti2InN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent In and three equivalent N atoms. All Ti–In bond lengths are 3.00 Å. All Ti–N bond lengths are 2.10 Å. In is bonded to six equivalent Ti and six equivalent In atoms to form distorted InTi6In6 cuboctahedra that share corners with six equivalent InTi6In6 cuboctahedra, corners with six equivalent NTi6 octahedra, edges with six equivalent InTi6In6 cuboctahedra, edges with six equivalent NTi6 octahedra, and faces with six equivalent InTi6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.11 Å. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent InTi6In6 cuboctahedra, edges with six equivalent InTi6In6 cuboctahedra, and edges with six equivalent NTi6 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025517
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; In-N-Ti; Ti2InN; crystal structure
- OSTI Identifier:
- 1355343
- DOI:
- https://doi.org/10.17188/1355343
Citation Formats
Materials Data on Ti2InN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355343.
Materials Data on Ti2InN by Materials Project. United States. doi:https://doi.org/10.17188/1355343
2020.
"Materials Data on Ti2InN by Materials Project". United States. doi:https://doi.org/10.17188/1355343. https://www.osti.gov/servlets/purl/1355343. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355343,
title = {Materials Data on Ti2InN by Materials Project},
abstractNote = {Ti2InN is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent In and three equivalent N atoms. All Ti–In bond lengths are 3.00 Å. All Ti–N bond lengths are 2.10 Å. In is bonded to six equivalent Ti and six equivalent In atoms to form distorted InTi6In6 cuboctahedra that share corners with six equivalent InTi6In6 cuboctahedra, corners with six equivalent NTi6 octahedra, edges with six equivalent InTi6In6 cuboctahedra, edges with six equivalent NTi6 octahedra, and faces with six equivalent InTi6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.11 Å. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent InTi6In6 cuboctahedra, edges with six equivalent InTi6In6 cuboctahedra, and edges with six equivalent NTi6 octahedra.},
doi = {10.17188/1355343},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}