Materials Data on Sr2CdAu3 by Materials Project

Abstract

Sr2Au3Cd crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and three equivalent Cd atoms. There are a spread of Sr–Au bond distances ranging from 3.30–3.63 Å. There are one shorter (3.43 Å) and two longer (3.61 Å) Sr–Cd bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to nine Au and three equivalent Cd atoms. There are a spread of Sr–Au bond distances ranging from 3.34–3.60 Å. There are two shorter (3.35 Å) and one longer (3.49 Å) Sr–Cd bond lengths. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 1-coordinate geometry to six Sr, three Au, and one Cd atom. There are two shorter (2.88 Å) and one longer (3.19 Å) Au–Au bond lengths. The Au–Cd bond length is 2.85 Å. In the second Au site, Au is bonded in a 2-coordinate geometry to six Sr, two Au, and two equivalent Cd atoms. The Au–Au bond length is 2.86 Å. Both Au–Cd bond lengths are 2.83 Å. In the third Au site, Au is bonded in a 10-coordinate geometry to six Sr, three Au, and one Cd atom. The Au–Cd bond length is 2.98 Å. Cd is bonded in a 4-coordinate geometry to six Sr and four Au atoms.