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The Order–Disorder (OD) Polytypism of [Cu2ZnTeO4]2+[SO4·H2O]2−
Crystal Research and Technology ( IF 1.5 ) Pub Date : 2020-04-13 , DOI: 10.1002/crat.201900182
Berthold Stöger 1 , Matthias Weil 2 , Owen P. Missen 3, 4 , Stuart J. Mills 4
Affiliation  

[Cu2ZnTeO4]2+[SO4·H2O]2− crystallizes as a category IV order‒disorder (OD) structure with two kinds of nonpolar layers with the formal composition [Cu2ZnTeO4]2+ and [SO4·H2O]2−, respectively. Reflection symmetry that is only valid for the [Cu2ZnTeO4]2+ layers leads to two ways of placing the [SO4·H2O]2− layers. Two of the polytypes are of a maximum degree of order (MDO1: P21/m and MDO2: Pnma). The crystal under investigation is mostly of the MDO2 polytype. Remaining positive electron density peaks in the difference Fourier maps indicate fragments of the MDO1 polytype.

中文翻译:

[Cu2ZnTeO4] 2+ [SO4·H2O] 2-的有序(OD)多态性

[Cu 2 ZnTeO 4 ] 2+ [SO 4 ·H 2 O] 2−结晶为IV类有序无序(OD)结构,具有两种非极性层,其正式组成为[Cu 2 ZnTeO 4 ] 2+和[ SO 4 ·H 2 O] 2−。仅对[Cu 2 ZnTeO 4 ] 2+层有效的反射对称性导致了两种放置[SO 4 ·H 2 O] 2-层的方式。两个多型体的最大有序度(MDO1P 2 1 / m和MDO 2Pnma)。研究中的晶体大多数是MDO 2多型的。差异傅立叶图中的剩余正电子密度峰指示MDO 1多型的片段。
更新日期:2020-04-13
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