Materials Data on Hf2TlC by Materials Project
Hf2TlC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent Tl and three equivalent C atoms. All Hf–Tl bond lengths are 3.16 Å. All Hf–C bond lengths are 2.28 Å. Tl is bonded to six equivalent Hf atoms to form distorted TlHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent TlHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent TlHf6 cuboctahedra, edges with six equivalent TlHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1759961
- Report Number(s):
- mp-1078712
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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