Materials Data on TlCdN3 by Materials Project
CdTlN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent N1- atoms to form CdN6 octahedra that share corners with six equivalent CdN6 octahedra and faces with eight equivalent TlN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–N bond lengths are 2.24 Å. Tl1+ is bonded to twelve equivalent N1- atoms to form TlN12 cuboctahedra that share corners with twelve equivalent TlN12 cuboctahedra, faces with six equivalent TlN12 cuboctahedra, and faces with eight equivalent CdN6 octahedra. All Tl–N bond lengths are 3.16 Å. N1- is bonded in a distorted linear geometry to two equivalent Cd2+ and four equivalent Tl1+ atoms.
36 MATERIALS SCIENCE↗