Materials Data on Tl2HgGeTe4 by Materials Project
HgTl2GeTe4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form distorted HgTe4 tetrahedra that share edges with two equivalent GeTe4 tetrahedra. All Hg–Te bond lengths are 2.91 Å. Tl1+ is bonded in a 10-coordinate geometry to two equivalent Tl1+ and eight equivalent Te2- atoms. Both Tl–Tl bond lengths are 3.60 Å. There are four shorter (3.56 Å) and four longer (3.75 Å) Tl–Te bond lengths. Ge4+ is bonded to four equivalent Te2- atoms to form GeTe4 tetrahedra that share edges with two equivalent HgTe4 tetrahedra. All Ge–Te bond lengths are 2.66 Å. Te2- is bonded in a 6-coordinate geometry to one Hg2+, four equivalent Tl1+, and one Ge4+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1274998
- Report Number(s):
- mp-569246
- Country of Publication:
- United States
- Language:
- English
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