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2022•Zeitschrift für anorganische und allgemeine ChemieRequires access

Synthesis and Crystal Structure of a New Orthorhombic Polytype of Potassium Ferricyanide

Xianji Qiao, Da Chen, Alex J. Corkett, Zili Ma, Guohong Cai, Guanqun Cai, Junjie Xin, Yi Qiu, Shangqing Qu, Rui Zhang, Richard Dronskowski, Guobao Li, Junliang Sun

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Abstract

Abstract A new four‐layer orthorhombic polytype of potassium ferricyanide, K3Fe(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.

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Abstract A new four‐layer orthorhombic polytype of potassium ferricyanide, K3Fe(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.

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Available abstract

Abstract A new four‐layer orthorhombic polytype of potassium ferricyanide, K3Fe(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.

Key concepts: Orthorhombic crystal system, Potassium ferricyanide, Crystallography, Crystal structure, Diffraction, Potassium, Lattice (music), Materials science

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