Crystal and Magnetic Structures of the Oxide Sulfides CaCoSO and BaCoSO

Inorganic Chemistry
Edward J T SalterSimon J Clarke

Abstract

CaCoSO, synthesized from CaO, Co, and S at 900 °C, is isostructural with CaZnSO and CaFeSO. The structure is non-centrosymmetric by virtue of the arrangement of the vertex-sharing CoS3O tetrahedra which are linked by their sulfide vertices to form layers. The crystal structure adopts space group P63mc (No. 186), and the lattice parameters are a = 3.7524(9) Å and c = 11.138(3) Å at room temperature with two formula units in the unit cell. The compound is highly insulating, and powder neutron diffraction measurements reveal long-range antiferromagnetic order with a propagation vector k = (1/3, 1/3, 1/2). The magnetic scattering from a powder sample can be modeled starting from a 120° arrangement of Co(2+) spin vectors in the triangular planes and then applying a canting out of the planes which can be modeled in the magnetic space group Ccc (space group 9.40 in the Belov, Neronova, and Smirnova (BNS) scheme) with Co(2+) moments of 2.72(5) μB. The antiferromagnetic structure of the recently reported compound BaCoSO, which has a very different crystal structure from CaCoSO, is also described, and this magnetic structure and the magnitude of the ordered moment (2.75(2) μB) are found by experiment to be similar to those predicted comp...Continue Reading

References

May 20, 2004·Journal of the American Chemical Society·Theodore A Betley, Jonas C Peters
Feb 11, 2005·Journal of the American Chemical Society·Steven D Brown, Jonas C Peters
Mar 15, 2006·Journal of Inorganic Biochemistry·Mark P Mehn, Jonas C Peters
Mar 14, 2007·Inorganic Chemistry·Timothy SambrookP Shiv Halasyamani
Feb 26, 2008·Journal of the American Chemical Society·Yoichi KamiharaHideo Hosono
Sep 30, 2008·Inorganic Chemistry·Simon J ClarkeCatherine F Smura
Mar 8, 2012·Nature Communications·Johannes HohenbergerKarsten Meyer
Jun 17, 2015·Chemistry : a European Journal·Martin ValldorLiu Hao Tjeng
Jun 19, 2015·Inorganic Chemistry·Charlène DelacotteAntoine Maignan
Jul 3, 2015·Journal of the American Chemical Society·Alex McSkimming, W Hill Harman

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Citations

Oct 6, 2016·Inorganic Chemistry·Simon J CassidySimon J Clarke
Aug 24, 2018·Reports on Progress in Physics·Ran AdlerGabriel Kotliar

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