Synthesis and Crystal Structure of a New Orthorhombic Polytype of Potassium Ferricyanide. Issue 2 (16th November 2022)

• Record Type: Journal Article
• Authors: Qiao, Xianji; Chen, Da; Corkett, Alex J.; Ma, Zili; Cai, Guohong; Cai, Guanqun; Xin, Junjie; Qiu, Yi; Qu, Shangqing; Zhang, Rui; Dronskowski, Richard; Li, Guobao; Sun, Junliang
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 649:Issue 2(2023)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2022-11-16
• Subjects: Potassium ferricyanide -- crystal structure -- new orthorhombic polytype -- DFT; Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.202200288
• Languages: English
• ISSNs: 0044-2313

Abstract

Abstract: A new four‐layer orthorhombic polytype of potassium ferricyanide, K3 Fe(CN)6, has been determined by single‐crystal X‐ray diffraction supported by powder X‐ray diffraction measurements. It crystallizes in the space group Pbcn with lattice parameters a = 10.3922(7) Å, b = 8.3508(5) Å, c = 26.838(2) Å and Z = 8, indicating a doubled orthorhombic cell along the c direction compared with the previously reported two‐layer orthorhombic polymorph. The structural relationship between these two forms is then discussed with the support of DFT calculations. Abstract :