Materials Data on NiTeSe by Materials Project
NiSeTe is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Ni4+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form edge-sharing NiTe3Se3 octahedra. All Ni–Te bond lengths are 2.56 Å. All Ni–Se bond lengths are 2.46 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Ni4+ and three equivalent Se2- atoms. All Te–Se bond lengths are 3.36 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Ni4+ and three equivalent Te2- atoms.
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