Materials Data on Cd4B6O13 by Materials Project
Cd4B6O13 crystallizes in the cubic I-43m space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are one shorter (2.17 Å) and three longer (2.22 Å) Cd–O bond lengths. B3+ is bonded to four equivalent O2- atoms to form corner-sharing BO4 tetrahedra. All B–O bond lengths are 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Cd2+ atoms.
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