Die Kristallstruktur von Tl3Bi2I9: Eine komplexe Ausdünnungs- und Verzerrungsvariante des Perowskit-Typs

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Aron Wosylus - , TUD Dresden University of Technology, Max Planck Institute for Chemical Physics of Solids (Author)
  • Ulrich Schwarz - , Max Planck Institute for Chemical Physics of Solids (Author)
  • Michael Ruck - , Chair of Inorganic Chemistry II (Author)

Abstract

Black crystals of trithallium(I) enneaiododibismuthate(III) Tl 3Bi2I9 were obtained by slow cooling of a melt with composition Tl:Bi:I = 3:2:9 from 800 K to ambient temperature. The compound is diamagnetic and decomposes peritectically at 619(2) K. X-ray diffraction of single-crystals revealed that Tl3Bi2I9 crystallizes in the monoclinic space group P21ln with lattice parameters a = 1438.9(1), b = 771.54(7), c = 2091.0(1)pm and β = 93.309(6)°, (Z = 4). The crystal structure can be described as a defect variant of the perovskite type (ABX3), where according to the formula Tl(Bi2/3□J1/3)I3 the Bi atoms occupy only two thirds of the octahedral sites B. The vacancies are located in every third plane resulting in double layers of corner sharing [BiI6] polyhedra. By distortion and rotation of the [BiI6] polyhedra the coordination of the Tl atoms (cuboctahedral sites in the perovskite type, c.n. = 12) is reduced to bicapped trigonal prisms (c.n. = 8). The group-subgroup relation between the Tl3Bi2I9 structure and the perovskite type results in a subgroup index of 144.

Translated title of the contribution
The crystal structure of TI3bi2I9
A complex defect and deformation variant of the perovskite structure type

Details

Original languageGerman
Pages (from-to)1055-1059
Number of pages5
JournalZeitschrift fur Anorganische und Allgemeine Chemie
Volume631
Issue number6-7
Publication statusPublished - 2005
Peer-reviewedYes

External IDs

ORCID /0000-0002-2391-6025/work/166325865

Keywords

ASJC Scopus subject areas

Keywords

  • Bismuth, Group-subgroup relations, Halide, Perovskite type, Thallium