Materials Data on Sr3Mg by Materials Project

Abstract

Sr3Mg crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded to ten Sr and two equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr10Mg2 cuboctahedra. There are a spread of Sr–Sr bond distances ranging from 3.89–4.22 Å. Both Sr–Mg bond lengths are 3.90 Å. In the second Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form a mixture of distorted corner, edge, and face-sharing SrSr8Mg4 cuboctahedra. There are two shorter (4.01 Å) and two longer (4.22 Å) Sr–Sr bond lengths. All Sr–Mg bond lengths are 3.95 Å. In the third Sr site, Sr is bonded to eight Sr and four equivalent Mg atoms to form distorted SrSr8Mg4 cuboctahedra that share corners with ten equivalent SrSr8Mg4 cuboctahedra, edges with fourteen SrSr10Mg2 cuboctahedra, and faces with sixteen SrSr10Mg2 cuboctahedra. Both Sr–Sr bond lengths are 4.22 Å. There are two shorter (3.97 Å) and two longer (4.04 Å) Sr–Mg bond lengths. Mg is bonded in a 10-coordinate geometry to ten Sr atoms.