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Ca3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted square co-planar geometry to four equivalent Sn atoms. All Ca–Sn bond lengths are 3.55 Å. Sn is bonded to twelve equivalent Ca atoms to form a mixture of corner and face-sharing SnCa12 cuboctahedra.
SnNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3Sn framework. In the Ca3Sn framework, Ca is bonded in a linear geometry to two equivalent Sn atoms. Both Ca–Sn bond lengths are 2.95 Å. Sn is bonded to six equivalent Ca atoms to form corner-sharing SnCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.