Materials Data on CaCoSe2 by Materials Project
CaCoSe2 is lead oxide-derived 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 CoSe4 trigonal pyramids. All Ca–Se bond lengths are 2.83 Å. Co2+ is bonded to four equivalent Se2- atoms to form distorted CoSe4 trigonal pyramids that share corners with eight equivalent CaSe4 tetrahedra and corners with four equivalent CoSe4 trigonal pyramids. All Co–Se bond lengths are 2.35 Å. Se2- is bonded to two equivalent Ca2+ and two equivalent Co2+ atoms to form corner-sharing SeCa2Co2 tetrahedra.
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