Materials Data on Zr2SN2 by Materials Project

Kristin Persson
Zr2N2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are three shorter (2.15 Å) and one longer (2.20 Å) Zr–N bond lengths. All Zr–S bond lengths are 2.84 Å. N3- is bonded to four equivalent Zr4+ atoms to form NZr4 tetrahedra that share corners with six equivalent SZr6 octahedra, corners with six equivalent NZr4 tetrahedra,...
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