Etude structurale de Ca 2NH par diffraction des rayons X, diffraction des neutrons et résonance magnétique nucléaire du proton dans le solide

The hydridenitride Ca ₂NH crystallizes with a superstructure of the NaCl type, space group Fd3 m, with a = 10.13 Å. The structure is established by three complementary physical methods: X-ray diffraction, proton nuclear magnetic resonance, and neutron diffraction. The first one establishes the arrangement of calcium and nitrogen in the cell. The other two methods fix the hydrogens. A quarter of them are statistically distributed on interstitial sites 96 g. The idealized model of Ca ₂NH is compared with the well-known types of superstructures derived from NaCl.