Materials Data on CaNiGe2 by Materials Project

Abstract

CaNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Ca–Ni bond lengths are 3.17 Å. There are a spread of Ca–Ge bond distances ranging from 3.15–3.37 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Ca and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.34–2.45 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to four equivalent Ca and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Ca, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.