Materials Data on Tl8SnTe6Pb by Materials Project
Tl8PbSnTe6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five Te2- atoms. There are a spread of Tl–Te bond distances ranging from 3.20–3.66 Å. Pb2+ is bonded to six Te2- atoms to form PbTe6 octahedra that share corners with six equivalent SnTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. There are four shorter (3.38 Å) and two longer (3.39 Å) Pb–Te bond lengths. Sn2+ is bonded to six Te2- atoms to form SnTe6 octahedra that share corners with six equivalent PbTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–38°. All Sn–Te bond lengths are 3.31 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 8-coordinate geometry to six equivalent Tl1+, one Pb2+, and one Sn2+ atom. In the second Te2- site, Te2- is bonded in a 10-coordinate geometry to eight equivalent Tl1+, one Pb2+, and one Sn2+ atom.
- 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:
- 1695965
- Report Number(s):
- mp-1216824
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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