CrCl2(btd) van der Waals Magnet: Magnetic Exchange Parameters and Neutron Scattering Data

A dataset from a 2026 study by Jem Pitcairn on a new van der Waals metal–organic magnet, CrCl2(btd). It contains data used to determine the material's magnetic properties, including exchange parameters J_Cl = -15.31(5) K, J_btd = -6.96(10) K, and anisotropy D = -2.0(2) K. The data was generated from magnetometry, neutron diffraction, and inelastic neutron scattering measurements.

Use Cases

• Modeling superexchange interactions based on the reported magnetic exchange parameters (J_Cl, J_btd, D).
• Comparing ligand-mediated magnetic coupling based on the contrast between btd and pyrimidine ligands described.
• Analyzing structural-property relationships in van der Waals magnets using data from powder neutron and single-crystal electron diffraction.
• Benchmarking computational predictions of magnetic ground states against experimentally determined collinear rectangular antiferromagnet data.

Strengths

• Includes quantitative magnetic parameters with reported uncertainties (e.g., J_Cl = -15.31(5) K).
• Data derived from multiple experimental techniques: magnetometry, neutron diffraction, and inelastic neutron scattering.
• Provides a direct comparison to an analogue material (CrCl2(pym)), demonstrating enhanced superexchange.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small (422.8 KB), indicating limited scope, likely containing summary results rather than raw measurement streams.

Provenance

Source

figshare, author Jem Pitcairn.

Collection Method

Experimental data from magnetometry, powder neutron diffraction, single-crystal electron diffraction, and inelastic neutron scattering.

Freshness

Last updated 2026-05-26 21:05:11; freshness should be verified.