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Materials Data on Tl2NiS2 by Materials Project

Ni(TlS)2 is Matlockite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two nickel molecules and two TlS sheets oriented in the (0, 0, 1) direction. In each TlS sheet, Tl1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing TlS4 tetrahedra. All Tl–S bond lengths are 2.84 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Tl1+ atoms.

36 MATERIALS SCIENCE↗