Materials Data on BaCaSn by Materials Project
BaCaSn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are one shorter (3.62 Å) and four longer (3.82 Å) Ba–Sn bond lengths. Ca is bonded to four equivalent Sn atoms to form a mixture of distorted edge and corner-sharing CaSn4 tetrahedra. There are a spread of Ca–Sn bond distances ranging from 3.27–3.34 Å. Sn is bonded in a 9-coordinate geometry to five equivalent Ba and four equivalent Ca atoms.
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