Materials Data on PrThN2 by Materials Project
ThPrN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded to six N atoms to form ThN6 octahedra that share corners with six equivalent ThN6 octahedra, edges with four equivalent ThN6 octahedra, and edges with eight equivalent PrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.59 Å) and four longer (2.60 Å) Th–N bond lengths. Pr is bonded to six N atoms to form PrN6 octahedra that share corners with six equivalent PrN6 octahedra, edges with four equivalent PrN6 octahedra, and edges with eight equivalent ThN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.59 Å) and four longer (2.60 Å) Pr–N bond lengths. There are two inequivalent N sites. In the first N site, N is bonded to four equivalent Th and two equivalent Pr atoms to form a mixture of edge and corner-sharing NPr2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N site, N is bonded to two equivalent Th and four equivalent Pr atoms to form NPr4Th2 octahedra that share corners with six equivalent NPr4Th2 octahedra and edges with twelve NPr2Th4 octahedra. The corner-sharing octahedral tilt angles are 0°.