Vertex-linked ZnO2S2 tetrahedra in the oxysulfide BaZnOS: a new coordination environment for zinc in a condensed solid

Sarah Broadley; Zoltán A Gál; Furio Corà; Catherine F Smura; Simon J Clarke

doi:10.1021/ic051240o

Vertex-linked ZnO2S2 tetrahedra in the oxysulfide BaZnOS: a new coordination environment for zinc in a condensed solid

Inorg Chem. 2005 Nov 28;44(24):9092-6. doi: 10.1021/ic051240o.

Authors

Sarah Broadley¹, Zoltán A Gál, Furio Corà, Catherine F Smura, Simon J Clarke

Affiliation

¹ Department of Chemistry, University of Oxford, Inorganic Chemistry Laboratory, South Parks Road, Oxford OX1 3QR, UK.

PMID: 16296865
DOI: 10.1021/ic051240o

Abstract

The wide-band-gap semiconductor BaZnOS adopts a high-symmetry modification of the SrZnO2 structure type and contains layers of vertex-linked ZnO2S2 tetrahedra, which represent a novel coordination environment for zinc in the solid state. BaZnOS: orthorhombic, space group Cmcm; a = 3.9619(2) angstroms, b = 12.8541(7) angstroms, c = 6.1175(4) angstroms, Z = 4. Diffuse-reflectance spectroscopy measurements reveal a direct band gap of 3.9(3) eV, consistent with the white color and the results of band structure calculations. The band gap is larger than those observed in ZnO and ZnS, consistent with the more ionic nature of BaZnOS. Attempts to dope this compound electronically have so far not proved possible.