U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr2TlC by Materials Project
Abstract
Zr2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Zr–Tl bond lengths are 3.22 Å. All Zr–C bond lengths are 2.31 Å. Tl is bonded to six equivalent Zr and six equivalent Tl atoms to form distorted TlZr6Tl6 cuboctahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, corners with six equivalent CZr6 octahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent CZr6 octahedra, and faces with six equivalent TlZr6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All Tl–Tl bond lengths are 3.39 Å. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, and edges with six equivalent CZr6 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025524
- 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; C-Tl-Zr; Zr2TlC; crystal structure
- OSTI Identifier:
- 1355369
- DOI:
- https://doi.org/10.17188/1355369
Citation Formats
Materials Data on Zr2TlC by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355369.
Materials Data on Zr2TlC by Materials Project. United States. doi:https://doi.org/10.17188/1355369
2020.
"Materials Data on Zr2TlC by Materials Project". United States. doi:https://doi.org/10.17188/1355369. https://www.osti.gov/servlets/purl/1355369. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1355369,
title = {Materials Data on Zr2TlC by Materials Project},
abstractNote = {Zr2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Zr–Tl bond lengths are 3.22 Å. All Zr–C bond lengths are 2.31 Å. Tl is bonded to six equivalent Zr and six equivalent Tl atoms to form distorted TlZr6Tl6 cuboctahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, corners with six equivalent CZr6 octahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent CZr6 octahedra, and faces with six equivalent TlZr6Tl6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All Tl–Tl bond lengths are 3.39 Å. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent TlZr6Tl6 cuboctahedra, edges with six equivalent TlZr6Tl6 cuboctahedra, and edges with six equivalent CZr6 octahedra.},
doi = {10.17188/1355369},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}