2026-10-12T05:51:07Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33753703 2026-09-14T19:24:06Z portal_1197 item_type_3 month_year_09_2026

Data for Implications of bond disorder in a S=1 kagome lattice Jamie L. Manson (1409152) Jamie Brambleby (1422472) Paul Goddard (564595) Peter M. Spurgeon (24897229) Jacqueline A. Villa (11873124) Junjie Liu (193511) Saman Ghannaszadeh (24897232) Francesca Foronda (2568682) John Singleton (1411675) Tom Lancaster (1422454) Stewart J. Clark (1991356) Iorwerth O Thomas (24897235) Fan Xiao (1422463) Francis L. Williams (24897238) Stephen J. Blundell (1352358) Craig V. Topping (2919993) Christopher Baines (575592) Charles Campana (2472679) Bruce Noll (1590979) Ferromagnetic materials Magnetic materials Magnetism Migrated from ePrints Strong hydrogen bonds such as F···H···F offer new strategies to fabricate molecular architectures exhibiting novel structures and properties. Along these lines and, to potentially realize hydrogen-bond mediated superexchange interactions in a frustrated material, we synthesized [H2F]2[Ni3F6(Fpy)12][SbF6]2 (Fpy = 3-fluoropyridine). It was found that positionally-disordered H2F+ ions link neutral NiF2(Fpy)4 moieties into a kagome lattice with perfect 3-fold rotational symmetry. Detailed magnetic investigations combined with density-functional theory (DFT) revealed weak antiferromagnetic interactions (J ~ 0.4 K) and a large positive-D of 8.3 K with ms = 0 lying below ms = ±1. The observed weak magnetic coupling is attributed to bond-disorder of the H2F+ ions which leads to disrupted Ni-F···H-F-H···F-Ni exchange pathways. Despite this result, we argue that networks such as this may be a way forward in designing tunable materials with varying degrees of frustration.<br><br>Experimental data in a zip file with explanatory information in readme.txt includes:- Heat_Capacity.dat Linear_Susceptibility.dat AC_Susceptibility.dat Differential_Susceptibility Electron_spin_resonance_1.dat Electron_spin_resonance_2.dat Muon_Spin_Rotation.dat Muon_Spin_Rotation2.dat Muon_Spin_Rotation3.dat DFT data files are organised in folders: 3-link model CASTEP output 2-link model CASTEP output - both folders contain subfolders 2026-09-14T19:24:06Z Dataset Dataset 10.82444/warw.33753703.v1 https://figshare.com/articles/dataset/Data_for_Implications_of_bond_disorder_in_a_S_1_kagome_lattice/33753703 CC BY 4.0