Materials Data on Tl4Br3Cl by Materials Project
Tl4Br3Cl is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to four equivalent Br1- and four equivalent Cl1- atoms. All Tl–Br bond lengths are 3.50 Å. All Tl–Cl bond lengths are 3.45 Å. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are four shorter (3.48 Å) and four longer (3.49 Å) Tl–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a body-centered cubic geometry to eight Tl1+ atoms. In the second Br1- site, Br1- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Tl1+ atoms.
- 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:
- 1679694
- Report Number(s):
- mp-1216585
- Country of Publication:
- United States
- Language:
- English
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