Materials Data on Ca2ZnN2 by Materials Project
Ca2ZnN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of edge and corner-sharing CaN5 square pyramids. There are one shorter (2.40 Å) and four longer (2.55 Å) Ca–N bond lengths. Zn2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Zn–N bond lengths are 1.85 Å. N3- is bonded to five equivalent Ca2+ and one Zn2+ atom to form a mixture of edge and corner-sharing NCa5Zn octahedra. The corner-sharing octahedra tilt angles range from 0–10°.
36 MATERIALS SCIENCE↗