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The layered structure of tetragonal Ni(CN)2, consisting of square-planarNi(CN)4 units linked in the a-b plane, with no true periodicity along thec-axis, is expected to show anisotropic compression on the application ofpressure. High-pressure neutron diffraction (elastic) and inelastic neutronscattering experiments have been performed on polycrystalline Ni(CN)2 toinvestigate its compressibility and stability. The intralayer a latticeparameter does not show any appreciable variation with increase of pressure upto 2.7 kbar. Above this pressure value, a decrease in a is observed. The clattice parameter decreases slowly up to 1 kbar, then decreases sharply up to20 kbar. It does not show any significant variation with further pressureincrease up to 50 kbar. The response of the lattice parameters to the appliedpressure is strongly anisotropic as the interlayer spacing (along the c-axis)shows a significantly larger contraction than the a-b plane. The experimentalpressure dependence of the volume data is fitted to a bulk modulus, B0, of 1050(20) kbar over the pressure range 0-1 kbar, and to 154 (2) kbar in the range1-50 kbar. The change in the slope of the lattice parameters at 1 kbar is alsosupported by high-pressure Raman measurements, which indicate a phasetransition at 1 kbar. Probably arising from a change in the CN ordering withinthe Ni(CN)2 layers. Raman measurements, performed up to 200 kbar, highlight thepossible existence of a second phase transition taking place at about 70 kbar.Our neutron inelastic scattering measurements of the pressure dependence of thephonon spectra performed up to 2.7 kbar, also support the occurrence of a phasetransition at low pressure.

journal of physics. condensed matter

New Insights into the Compressibility and High-Pressure Stability of  Ni(CN)2 from Neutron Diffraction, Raman Spectroscopy and Inelastic Neutron  Scattering