Materials Data on Ni2SbTe2 by Materials Project

Ni2SbTe2 is Calaverite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Ni2SbTe2 sheets oriented in the (0, 0, 1) direction. Ni+2.50+ is bonded to three equivalent Sb1- and three equivalent Te2- atoms to form a mixture of face, edge, and corner-sharing NiSb3Te3 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–Sb bond lengths are 2.63 Å. All Ni–Te bond lengths are 2.57 Å. Sb1- is bonded in a 6-coordinate geometry to six equivalent Ni+2.50+ atoms. Te2- is bonded in a 3-coordinate geometry to three equivalent Ni+2.50+ atoms.