Materials Data on Ca3ZnSe4 by Materials Project
Ca3ZnSe4 is Lavarevi\'{c}ite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Ca–Se bond lengths are 2.84 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with twelve equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.54 Å. Se2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing SeCa3Zn tetrahedra.
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