Vertex-Linked ZnO2S2 Tetrahedra in the Oxysulfide BaZnOS: a New Coordination Environment for Zinc in a Condensed Solid

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• 作者：Sarah Broadley ; Zoltá ; n A. Gá ; l ; Furio Corà ; Catherine F. Smura ; and Simon J. Clarke
• 刊名：Inorganic Chemistry
• 出版年：2005
• 出版时间：November 28, 2005
• 年：2005
• 卷：44
• 期：24
• 页码：9092 - 9096
• 全文大小：268K
• 年卷期：v.44,no.24(November 28, 2005)
• ISSN：1520-510X

文摘

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