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Materials Data on Tl2Pt3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205209· OSTI ID:1205209
Pt3Tl2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt+0.67- is bonded in a 5-coordinate geometry to six equivalent Pt+0.67- and five Tl1+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.85–2.98 Å. There are a spread of Pt–Tl bond distances ranging from 2.84–3.02 Å. There are three inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Pt+0.67- atoms. In the second Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six equivalent Pt+0.67- atoms. In the third Tl1+ site, Tl1+ is bonded in a distorted q6 geometry to nine equivalent Pt+0.67- 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:
1205209
Report Number(s):
mp-30853
Country of Publication:
United States
Language:
English

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