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Materials Data on TlGeCl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317384· OSTI ID:1317384
TlGeCl3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Tl1+ is bonded in a 7-coordinate geometry to nine Cl1- atoms. There are a spread of Tl–Cl bond distances ranging from 3.35–3.91 Å. Ge2+ is bonded in a 3-coordinate geometry to three Cl1- atoms. There are one shorter (2.36 Å) and two longer (2.37 Å) Ge–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Tl1+ and one Ge2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one Ge2+ 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:
1317384
Report Number(s):
mp-998743
Country of Publication:
United States
Language:
English

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