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DOE OSTI2020

Materials Data on TlC by Materials Project

TlC is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl3+ is bonded to six equivalent C3- atoms to form a mixture of edge and corner-sharing TlC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–C bond lengths are 2.52 Å. C3- is bonded to six equivalent Tl3+ atoms to form a mixture of edge and corner-sharing CTl6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TlC by Materials Project

TlC is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tl3+ is bonded in a body-centered cubic geometry to eight equivalent C3- atoms. All Tl–C bond lengths are 2.80 Å. C3- is bonded in a body-centered cubic geometry to eight equivalent Tl3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TlC by Materials Project

TlC is Tetraauricupride structured and crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one TlC sheet oriented in the (0, 0, 1) direction. Tl3+ is bonded in a rectangular see-saw-like geometry to four equivalent C3- atoms. All Tl–C bond lengths are 2.43 Å. C3- is bonded in a rectangular see-saw-like geometry to four equivalent Tl3+ atoms.

36 MATERIALS SCIENCE↗