Structures of β-ZrNCl and superconducting Li0.16ZrNCl (Tc = 15 K) determined by powder neutron diffraction are found to be SmSI-type (R3̄m) and YOF-type (R3̄m), respectively. The structural transformation by Li intercalation is interpreted as the sliding of [ZrNCl]2 slabs due to an electrostatic force. ZrN bilayer in Li0.16ZrNCl forms almost flat double honeycomb lattice, in which ZrN satisfies an 'isosteric' principle with h-BN as AB/8e-.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Energy Engineering and Power Technology
- Electrical and Electronic Engineering