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Fragmenting the Kagomé Lattice: Pressure-Tuned Anisotropy of Cu2+ Triangles in a Novel Atacamite Relative CaCu(OH)3Cl
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    C: Physical Properties of Materials and Interfaces

    Fragmenting the Kagomé Lattice: Pressure-Tuned Anisotropy of Cu2+ Triangles in a Novel Atacamite Relative CaCu(OH)3Cl
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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2024, XXXX, XXX, XXX-XXX
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    https://doi.org/10.1021/acs.jpcc.4c07695
    Published December 10, 2024
    © 2024 American Chemical Society

    Abstract

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    The atacamite family of copper halide minerals contains several prominent quantum spin liquid candidate materials, chiefly herbertsmithite. Unfortunately, an intrinsic chemical disorder in herbertsmithite complicates attempts to perform magneto-structural correlations that deconvolute the fundamental magnetic exchange terms that underpin frustration. We sought to synthesize disorder-free zero-dimensional analogues of the atacamites that retain the basic local geometry required for frustration (i.e., triangular arrangements of spins) while avoiding the extended lattices that are prone to site disorder. We present here the synthesis of a novel trimetallic compound, CaCu(OH)3Cl, that is reminiscent in composition and structure to the known atacamites. CaCu(OH)3Cl features mildly Jahn–Teller distorted copper triangles that represent zero-dimensional analogues to the triangles that comprise the kagomé layers in herbertsmithite. We present a high-pressure synchrotron single crystal X-ray diffraction study of CaCu(OH)3Cl up to 10.1(2) GPa and show that pressure counteracts the magnetic Jahn–Teller distortion of the square planar Cu(OH)4 units that comprise the copper triangles, offering a new direction for optimizing magnetic frustration.

    © 2024 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpcc.4c07695.

    • Optical microscope image of single crystal of 1; cross- and cocircularly polarized Raman spectra of 1; parameters of equation of state fits to pressure data; tabulated experimental pressures, unit cell volumes, and lattice parameters (PDF)

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    The Journal of Physical Chemistry C

    Cite this: J. Phys. Chem. C 2024, XXXX, XXX, XXX-XXX
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpcc.4c07695
    Published December 10, 2024
    © 2024 American Chemical Society

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