Materials Data on U2PN2 by Materials Project
U2PN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U+4.50+ is bonded in a 4-coordinate geometry to three equivalent P3- and four equivalent N3- atoms. All U–P bond lengths are 2.86 Å. There are three shorter (2.27 Å) and one longer (2.28 Å) U–N bond lengths. P3- is bonded to six equivalent U+4.50+ atoms to form PU6 octahedra that share corners with twelve equivalent NU4 tetrahedra, edges with six equivalent PU6 octahedra, and edges with six equivalent NU4 tetrahedra. N3- is bonded to four equivalent U+4.50+ atoms to form NU4 tetrahedra that share corners with six equivalent PU6 octahedra, corners with six equivalent NU4 tetrahedra, edges with three equivalent PU6 octahedra, and edges with three equivalent NU4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–50°.