Materials Data on Zn6Sb5 by Materials Project

Kristin Persson
Zn6Sb5 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zn2+ is bonded to four Sb+2.40- atoms to form a mixture of distorted corner and edge-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.69–2.80 Å. There are two inequivalent Sb+2.40- sites. In the first Sb+2.40- site, Sb+2.40- is bonded in a 3-coordinate geometry to three equivalent Zn2+ atoms. In the second Sb+2.40- site, Sb+2.40- is bonded to six...
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