Abstract

We use variable-pressure neutron and X-ray diffraction measurements to determine the uniaxial and bulk compressibilities of nickel(II) cyanide, Ni(CN)2_2. Whereas other layered molecular framework materials are known to exhibit negative area compressibility, we find that Ni(CN)2_2 does not. We attribute this difference to the existence of low-energy in-plane tilt modes that provide a pressure-activated mechanism for layer contraction. The experimental bulk modulus we measure is about four times lower than that reported elsewhere on the basis of density functional theory methods [{\it Phys. Rev. B} {\bf 83}, 024301 (2011)].

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