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DOE OSTI2020

Materials Data on CuCN by Materials Project

CuCN crystallizes in the trigonal R3m space group. The structure is one-dimensional and consists of three CuCN ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a linear geometry to one C2+ and one N3- atom. The Cu–C bond length is 1.82 Å. The Cu–N bond length is 1.82 Å. C2+ is bonded in a linear geometry to one Cu1+ and one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Cu1+ and one C2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Giant Negative Linear Compressibility in Orthorhombic Copper Cyanide

Most reported negative linear compressibility (NLC) materials exhibit either a small NLC over a large pressure range or a high NLC over a very small pressure range. Here, we report the remarkable discovery of giant NLC in the low-temperature form of CuCN (LT-CuCN) over an unusually large pressure range. High- pressure XRD studies on LT-CuCN observed the NLC of –20.5 TPa –1 along the a axis at zero pressure, and the ambient orthorhombic phase remained stable up to 9.8 GPa. Pressure- and temperature-dependent Raman studies identified the phonon vibrations responsible for NLC and negative thermal expansion (NTE).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗