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  Pb[PtBi6I12] - Infinite Chains of Heavy Atom Clusters

Herz, M. A., Knies, M., Finzel, K., & Ruck, M. (2020). Pb[PtBi6I12] - Infinite Chains of Heavy Atom Clusters. Zeitschrift für anorganische und allgemeine Chemie. doi:10.1002/zaac.202000336.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0007-7B2B-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-8119-B
Genre: Journal Article

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 Creators:
Herz, Maria A.1, Author
Knies, Maximilian1, Author
Finzel, Kati1, Author
Ruck, Michael2, Author              
Affiliations:
1External Organizations, ou_persistent22              
2Michael Ruck, Max Planck Fellow, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863444              

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 Abstract: Reaction of Bi with Pb, Pt and BiI3 above 330 degrees C yielded shiny, black, air insensitive crystals of the subiodide Pb[PtBi6I12]. Pb[PtBi6I12] crystallizes in the rhombohedral space group R3 with lattice parameters a = 1585.39(5) pm and c = 1098.77(3) pm at room temperature. The compound consists of cuboctahedral [PtBi6I12](2-) clusters and Pb2+ cations in octahedral coordination between trigonal faces of two cuboctahedra, which concatenate them into linear chains. Six weaker Bi center dot center dot center dot I inter-cluster bridges per cluster connect the chains. The structure can be interpreted as a superstructure of the NaCl structure type, with iodide and platinum(-II) as anions and bismuth(II) and lead(II) as cations, leaving 18 out of 39 cation positions unoccupied. The arrangement of the cuboctahedral clusters follows the motif of a body-centered cubic packing. Pb[PtBi6I12] is a semiconductor with a measured bandgap of 0.69 eV. Full-relativistic DFT calculations indicate a topologically trivial bandgap of 0.58 eV.

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Language(s): eng - English
 Dates: 2020-10-232020-10-23
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1002/zaac.202000336
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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : J. Inorg. Gen Chem.
  Other : Journal of Inorganic and General Chemistry
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Leipzig, Weinheim : Verlag Johann Ambrosius Barth / Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: - Start / End Page: - Identifier: Other: 1521-3749
ISSN: 0044-2313
CoNE: https://pure.mpg.de/cone/journals/resource/954925453895