%0 Journal Article
%A Alahmari, Fatimah
%A Dey, Somnath
%A Emwas, Abdul-Hamid
%A Davaasuren, Bambar
%A Rothenberger, Alexander
%T Layered copper thioaluminate K2Cu3AlS4: Synthesis, crystal structure, characterization and solid-state 27Al and 39K NMR studies
%J Journal of alloys and compounds
%V 776
%@ 0925-8388
%C Amsterdam [u.a.]
%I ScienceDirect
%M FZJ-2019-00438
%P 1041 - 1047
%D 2019
%X The first example of alkali/transition metal thioaluminates K2Cu3AlS4 was synthesized and characterized. The compound crystallizes in the orthorhombic space group Pnna (no. 52), with unit cell parameters a = 5.471 (6) Å, b = 5.468 (6) Å and c = 13.111 (1) Å, within a pseudo-tetragonal lattice. Its crystal structure consists of 2D [Cu3AlS4]2- polyanionic anti-PbO type layers, in which Al and Cu atoms share the atomic positions, separated by K+ cations. The (Cu/Al) atomic positions are tetrahedrally coordinated by S atoms, whereas K atoms are surrounded by eight S atoms in a cubic fashion. The coordination environments of the Al and K cations were confirmed by solid-state 27Al and 39K NMR, respectively. The title compound is a semiconductor with a direct bandgap of 2.96 eV, and thermally stable up to 550 °C
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000453826200119
%R 10.1016/j.jallcom.2018.10.239
%U https://juser.fz-juelich.de/record/859589