Materials Data on Ca4MgSn3 by Materials Project
Ca4MgSn3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Ca–Sn bond distances ranging from 3.25–3.53 Å. Mg is bonded in a 4-coordinate geometry to four equivalent Sn atoms. All Mg–Sn bond lengths are 3.07 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to eight equivalent Ca and two equivalent Mg atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight equivalent Ca and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.03 Å.
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