Manson, Jamie, Curley, Samuel P. M., Williams, Robert C., Walker, David, Goddard, Paul, Ozarowski, Andrew, Johnson, Roger D., Vibhakar, Anuradha, Villa, Danielle, Rhodehouse, Melissa, Birnbaum, Serena M. and Singleton, John (2021) Data for Controlling magnetic anisotropy in a zero-dimensional S = 1 magnet using isotropic cation substitution. [Dataset]

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Abstract

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)]. 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.

Item Type:	Dataset
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science, Engineering and Medicine > Science > Physics
Type of Data:	Experimental data
Library of Congress Subject Headings (LCSH):	Anisotropy, Isotropy subgroups, Symmetry groups
Publisher:	University of Warwick, Department of Physics
Official Date:	2 June 2021
Dates:	Date Event 2 June 2021 Published 24 February 2021 Created
Status:	Not Peer Reviewed
Publication Status:	Published
Media of Output (format):	.dat
Access rights to Published version:	Open Access (Creative Commons)
Copyright Holders:	University of Warwick
Description:	Fig4_x0p2.dat contains magnetic susceptibility versus temperature data from Figure 4 for the sample with x = 0.2. 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 http://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 http://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.
Date of first compliant deposit:	2 June 2021
Date of first compliant Open Access:	2 June 2021
RIOXX Funder/Project Grant:	Project/Grant ID RIOXX Funder Name Funder ID DMR-1703003 National Science Foundation http://dx.doi.org/10.13039/501100008982 CHE-1827313 National Science Foundation http://dx.doi.org/10.13039/501100008982 681260 [ERC] Horizon 2020 Framework Programme http://dx.doi.org/10.13039/100010661 DMR-1644779 National Science Foundation http://dx.doi.org/10.13039/501100008982
Related URLs:	Related item in WRAP Other
Contributors:	Contribution Name Contributor ID Depositor Goddard, Paul 55678

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