Materials Data on CaMnFeGe2 by Materials Project

Abstract

CaMnFeGe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ca is bonded in a 8-coordinate geometry to four equivalent Fe and eight equivalent Ge atoms. All Ca–Fe bond lengths are 3.40 Å. All Ca–Ge bond lengths are 3.09 Å. Mn is bonded to four equivalent Fe and four equivalent Ge atoms to form a mixture of distorted face and corner-sharing MnFe4Ge4 tetrahedra. All Mn–Fe bond lengths are 2.78 Å. All Mn–Ge bond lengths are 2.43 Å. Fe is bonded in a 12-coordinate geometry to four equivalent Ca, four equivalent Mn, and four equivalent Ge atoms. All Fe–Ge bond lengths are 2.43 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Ca, two equivalent Mn, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.70 Å.