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Ce3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Ce–Sn bond lengths are 3.39 Å. Sn is bonded to twelve equivalent Ce atoms to form a mixture of corner and face-sharing SnCe12 cuboctahedra.
Ce3Sn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Ce sites. In the first Ce site, Ce is bonded to three equivalent Ce and three equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CeCe3Sn3 cuboctahedra. All Ce–Ce bond lengths are 3.38 Å. All Ce–Sn bond lengths are 3.37 Å. In the second Ce site, Ce is bonded to twelve Ce atoms to form CeCe12 cuboctahedra that share corners with eighteen CeCe3Sn3 cuboctahedra, edges with eighteen CeCe3Sn3 cuboctahedra, and faces with six equivalent CeCe12 cuboctahedra. All Ce–Ce bond lengths are 3.45 Å. In the third Ce site, Ce is bonded to three equivalent Ce and three equivalent Sn atoms to form distorted CeCe3Sn3 cuboctahedra that share corners with fourteen CeCe3Sn3 cuboctahedra, edges with twenty CeCe3Sn3 cuboctahedra, and faces with two equivalent CeCe16 cuboctahedra. All Ce–Ce bond lengths are 3.38 Å. All Ce–Sn bond lengths are 3.37 Å. In the fourth Ce site, Ce is bonded to sixteen Ce atoms to form a mixture of edge, corner, and face-sharing CeCe16 cuboctahedra. There are a spread of Ce–Ce bond distances ranging from 3.45–6.90 Å. Sn is bonded in a distorted hexagonal planar geometry to six equivalent Ce atoms.
Ce3SnC 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 Ce3Sn framework. In the Ce3Sn framework, Ce is bonded in a linear geometry to two equivalent Sn atoms. Both Ce–Sn bond lengths are 2.92 Å. Sn is bonded to six equivalent Ce atoms to form corner-sharing SnCe6 octahedra. The corner-sharing octahedral tilt angles are 0°.