Ce3TlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Ce3Tl framework. In the Ce3Tl framework, Ce is bonded in a linear geometry to two equivalent Tl atoms. Both Ce–Tl bond lengths are 2.93 Å. Tl is bonded to six equivalent Ce atoms to form corner-sharing TlCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.
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