Materials Data on TlSiPt5 by Materials Project
Pt5TlSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.60+ sites. In the first Pt+0.60+ site, Pt+0.60+ is bonded to two equivalent Tl1+ and two equivalent Si4- atoms to form a mixture of corner and edge-sharing PtTl2Si2 tetrahedra. Both Pt–Tl bond lengths are 2.97 Å. Both Pt–Si bond lengths are 2.47 Å. In the second Pt+0.60+ site, Pt+0.60+ is bonded in a square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.84 Å. Tl1+ is bonded to twelve Pt+0.60+ atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. Si4- is bonded in a body-centered cubic geometry to eight equivalent Pt+0.60+ atoms.
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