Noncentrosymmetric Manganese Bismuth Thiocyanate Perovskites

IF 7.1 2区材料科学 Q2 CHEMISTRY, PHYSICAL

Chemistry of Materials Pub Date : 2026-10-08 DOI:10.1021/acs.chemmater.6c02127

Madeleine Geers,Dominik J. Kubicki,Stephen P. Argent,Jeremiah P. Tidey,Elodie Salager,Benjamin B. Duff,Oscar Fabelo,Laura Cañadillas-Delgado,Matthew J. Cliffe

引用次数: 0

Abstract

Abstract Symmetry-lowering orderings in perovskites can produce a wide range of functions. Thiocyanate based perovskites, AM(SCN)3, have orderings distinct from those of the atomic oxides, enabling new functional behavior. We report four new defect-ordered manganese thiocyanate perovskites K{Mn[Bi(SCN)6]},NH4{Mn[Bi(SCN)6]}·18H2O,Cs{Mn[Bi(SCN)6]}·18H2O, and Gua6{Mn9[Bi(SCN)6]8}·6H2O, and solve their structures using a combination of powder X-ray, single crystal X-ray, single crystal electron and single-crystal neutron diffraction combined with solid-state 1H, 13C, and 133Cs MAS NMR. These frameworks each adopt a structure distinct from both previously reported thiocyanates, and other molecular and atomic perovskites. These noncentrosymmetric thiocyanate perovskites demonstrate how frustration between octahedral tilts and A-site ordering can produce complex function.

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非中心对称的锰铋硫氰酸钙钛矿

钙钛矿中的降低对称有序可以产生广泛的功能。硫氰酸盐基钙钛矿AM(SCN)3具有不同于原子氧化物的有序结构，从而实现了新的功能行为。本文报道了四种新的缺陷有序硫氰酸锰钙钛矿K{Mn[Bi(SCN)6]}、NH4{Mn[Bi(SCN)6]}·18H2O、Cs{Mn[Bi(SCN)6]}·18H2O和Gua6{Mn9[Bi(SCN)6]8}·6H2O，并利用粉末x射线、单晶x射线、单晶电子和单晶中子衍射结合固态1H、13C和133Cs MAS NMR对其结构进行了解析。这些框架各自采用不同于先前报道的硫氰酸盐和其他分子和原子钙钛矿的结构。这些非中心对称硫氰酸钙钛矿证明了八面体倾斜和a位排序之间的挫折如何产生复杂的功能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Chemistry of Materials 工程技术-材料科学：综合

CiteScore

14.10

自引率

5.80%

发文量

929

审稿时长

1.5 months

期刊介绍： The journal Chemistry of Materials focuses on publishing original research at the intersection of materials science and chemistry. The studies published in the journal involve chemistry as a prominent component and explore topics such as the design, synthesis, characterization, processing, understanding, and application of functional or potentially functional materials. The journal covers various areas of interest, including inorganic and organic solid-state chemistry, nanomaterials, biomaterials, thin films and polymers, and composite/hybrid materials. The journal particularly seeks papers that highlight the creation or development of innovative materials with novel optical, electrical, magnetic, catalytic, or mechanical properties. It is essential that manuscripts on these topics have a primary focus on the chemistry of materials and represent a significant advancement compared to prior research. Before external reviews are sought, submitted manuscripts undergo a review process by a minimum of two editors to ensure their appropriateness for the journal and the presence of sufficient evidence of a significant advance that will be of broad interest to the materials chemistry community.