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Materials Data on K3SiTe3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1296212· OSTI ID:1296212
(K)3SiTe3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve potassium molecules and two SiTe3 clusters. In each SiTe3 cluster, Si4- is bonded in a tetrahedral geometry to one Si4- and three Te+0.33+ atoms. The Si–Si bond length is 2.41 Å. There are two shorter (2.54 Å) and one longer (2.55 Å) Si–Te bond lengths. There are two inequivalent Te+0.33+ sites. In the first Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- atom. In the second Te+0.33+ site, Te+0.33+ is bonded in a single-bond geometry to one Si4- 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:
1296212
Report Number(s):
mp-7657
Country of Publication:
United States
Language:
English

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