Materials Data on Zn4B6O13 by Materials Project
Zn4B6O13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Zn2+ is bonded to four O2- atoms to form distorted ZnO4 trigonal pyramids that share corners with six equivalent BO4 tetrahedra and corners with three equivalent ZnO4 trigonal pyramids. There are three shorter (1.99 Å) and one longer (2.01 Å) Zn–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent BO4 tetrahedra and corners with four equivalent ZnO4 trigonal pyramids. All B–O bond lengths are 1.48 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent B3+ atoms.