Materials Data on CaZn13 by Materials Project
CaZn13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to twenty-four equivalent Zn atoms. All Ca–Zn bond lengths are 3.55 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to two equivalent Ca and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.54–2.96 Å. In the second Zn site, Zn is bonded in a cuboctahedral geometry to twelve equivalent Zn atoms.
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