Materials Data on NaCaYCdF8 by Materials Project

Abstract

NaCaYCdF8 is Fluorite-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Na–F bond lengths are 2.44 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Ca–F bond lengths are 2.38 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Y–F bond lengths are 2.31 Å. Cd2+ is bonded in a body-centered cubic geometry to eight equivalent F1- atoms. All Cd–F bond lengths are 2.38 Å. F1- is bonded to one Na1+, one Ca2+, one Y3+, and one Cd2+ atom to form a mixture of edge and corner-sharing FNaCaYCd tetrahedra.