Materials Data on Tl3BiS6 by Materials Project
TlTl2BiS4(S)2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of four hydrogen sulfide molecules; two thallium molecules; and one Tl2BiS4 sheet oriented in the (0, 0, 1) direction. In the Tl2BiS4 sheet, Tl3+ is bonded in a linear geometry to two equivalent S2- atoms. Both Tl–S bond lengths are 2.54 Å. Bi3+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Bi–S bond lengths are 2.62 Å. S2- is bonded in a linear geometry to one Tl3+ and one Bi3+ atom.
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