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Table · dataset · 2021

Data for Controlling magnetic anisotropy in a zero-dimensional S = 1 magnet using isotropic cation substitution

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The [Zn1–xNix(HF2)(pyz)2]SbF6 (x = 0.2; pyz = pyrazine) solid solution exhibits a zero-field splitting (D) that is 22% larger [D = 16.2(2) K (11.3(2) cm–1)] than that observed in the x = 1 material [D = 13.3(1) K (9.2(1) cm–1)].

Description

The substantial change in D is accomplished by an anisotropic lattice expansion in the MN4 (M = Zn or Ni) plane, wherein the increased concentration of isotropic Zn(II) ions induces a nonlinear variation in M-F and M-N bond lengths.

In this, we exploit the relative donor atom hardness, where M-F and M-N form strong ionic and weak coordinate covalent bonds, respectively, the latter being more sensitive to substitution of Ni by the slightly larger Zn(II) ion. In this way, we are able to tune the single-ion anisotropy of a magnetic lattice site by Zn-substitution on nearby sites. This effect has possible applications in the field of single-ion magnets and the design of other molecule-based magnetic systems.<br><br>Fig4_x0p2.dat contains magnetic susceptibility versus temperature data from Figure 4 for the sample with x = 0.2.

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The columns are Temperature (K) and magnetic susceptibility (m^3/mol). The magnetic field is 0.1 T and the sample mass is 3.55 mg. The x = 1 data in Figure 4 are taken from Ref [10] and the data are available at wrap.warwick.ac.uk/87183/.

Fig5_x0p2.dat contains magnetization versus applied magnetic field data from Figure 5 for the sample with x = 0.2. The columns are Applied Magnetic Field (T) and Magnetization (arbitrary units). The Magnetization data are normalised to the saturation value.

The temperature is 640 mK. The x = 1 data in Figure 5 are taken from Ref [10] and the data are available at wrap.warwick.ac.uk/87183/. CCDC 2026750−2026752 contain the supplementary crystallographic data for this paper.

These data can be obtained free of charge via www.ccdc.cam.ac.uk/data_request/cif, or by emailing data_request@ccdc.cam.ac.uk, or by contacting The Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44 1223 336033.

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