Materials Data on SiNiSb by Materials Project
NiSiSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one NiSiSb sheet oriented in the (0, 0, 1) direction. Ni1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing NiSi4 tetrahedra. All Ni–Si bond lengths are 2.42 Å. Si4- is bonded in a 8-coordinate geometry to four equivalent Ni1+ and four equivalent Sb3+ atoms. All Si–Sb bond lengths are 2.92 Å. Sb3+ is bonded in a distorted square co-planar geometry to four equivalent Si4- atoms.