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Updated: Aug 29, 2026

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Published on: June 10, 2021
An X-ray powder diffraction study of the spin-crossover transition and structure of
Victoria A Money1, Ivana Radosavljevic Evans, Jerome Elhaïk
1Chemistry Department, Durham University, South Road, Durham DH1 3LE, UK.
Abstract:
The crystal structure of the iron(II) spin-crossover compound [Fe(C(10)H(8)N(6))(2)](ClO(4))(2) in the high-spin state has been solved from powder X-ray diffraction data using the DASH program and refined using Rietveld refinement. The thermal spin transition has been monitored by following the change in unit-cell parameters with temperature. The title compound has been found to undergo a crystallographic phase change, involving a doubling of the crystallographic a axis, on undergoing the spin transition.
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