Materials Data on ZnBSe2 by Materials Project
ZnBSe2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zn is bonded to four equivalent B and four equivalent Se atoms to form distorted edge-sharing ZnB4Se4 tetrahedra. All Zn–B bond lengths are 2.81 Å. All Zn–Se bond lengths are 2.81 Å. B is bonded in a distorted body-centered cubic geometry to four equivalent Zn and four equivalent Se atoms. All B–Se bond lengths are 2.81 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded to four equivalent Zn atoms to form distorted corner-sharing SeZn4 tetrahedra. In the second Se site, Se is bonded in a 8-coordinate geometry to four equivalent B atoms.
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