Materials Data on CaZnSe2 by Materials Project
CaZnSe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 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 CaSe4 tetrahedra and corners with eight equivalent ZnSe4 tetrahedra. All Ca–Se bond lengths are 2.83 Å. Zn2+ is bonded to four equivalent Se2- atoms to form ZnSe4 tetrahedra that share corners with four equivalent ZnSe4 tetrahedra and corners with eight equivalent CaSe4 tetrahedra. All Zn–Se bond lengths are 2.53 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Zn2+ atoms to form corner-sharing SeCa2Zn2 tetrahedra.
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