Abstract

Position and content of hydrogen atoms in as-transported H x ZrNCl, which is the parent compound of a novel two-dimensional superconductor Li 0.16ZrNCl with T c=15 K, are determined by powder neutron diffraction. Hydrogen atoms are found to occupy 6 c site with z=0.235, which is located between ZrN and Cl layers, and with an occupancy, g=0.4, i.e. x=0.4.

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