Noncentrosymmetric Manganese Bismuth Thiocyanate Perovskites
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Updated: Oct 31, 2026

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Published on: June 5, 2026
Madeleine Geers1,2,3, Dominik J Kubicki4, Stephen P Argent1
1School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, U.K.
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]}, , , and , 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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