The first thiocyanate-bridged double perovskite-type coordination polymer [NH4]2[NiCd(SCN)6] is reported here, which undergoes a reversible structural phase transition at around 120 K. An order–disorder mechanism for this transition is disclosed by X-ray structural analyses, dielectric measurement, as well as molecular dynamics simulations.
![Graphical abstract: Order–disorder phase transition in the first thiocyanate-bridged double perovskite-type coordination polymer: [NH4]2[NiCd(SCN)6]](http://hg.y866.cn/compound/lib/scimg/usr/1/C6CE00898D.jpg)