Materials Data on Tl2TeI6 by Materials Project
Tl2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tl1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Tl–I bond distances ranging from 3.54–3.93 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.98 Å) and two longer (2.99 Å) Te–I bond lengths. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 3-coordinate geometry to two equivalent Tl1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Tl1+ and one Te4+ 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:
- 1205403
- Report Number(s):
- mp-31077
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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