Materials Data on CaMg2 by Materials Project

Abstract

Mg2Ca crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ca and eight Mg atoms. There are two shorter (3.55 Å) and two longer (3.73 Å) Ca–Ca bond lengths. There are a spread of Ca–Mg bond distances ranging from 3.31–3.63 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three equivalent Ca and nine Mg atoms. There are a spread of Mg–Mg bond distances ranging from 3.18–3.57 Å. In the second Mg site, Mg is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent Mg atoms.