Materials Data on SrMg by Materials Project

Abstract

SrMg crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Sr sites. In the first Sr site, Sr is bonded in a 12-coordinate geometry to three equivalent Sr and five Mg atoms. There are one shorter (3.93 Å) and two longer (4.10 Å) Sr–Sr bond lengths. There are a spread of Sr–Mg bond distances ranging from 3.55–3.67 Å. In the second Sr site, Sr is bonded in a 6-coordinate geometry to seven Sr and six Mg atoms. There are a spread of Sr–Sr bond distances ranging from 3.91–4.08 Å. There are a spread of Sr–Mg bond distances ranging from 3.69–4.04 Å. In the third Sr site, Sr is bonded in a 12-coordinate geometry to two equivalent Sr and six Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.64–3.74 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 9-coordinate geometry to six Sr and three Mg atoms. There are one shorter (3.13 Å) and two longer (3.30 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 9-coordinate geometry to six Sr and three Mg atoms. Both Mg–Mg bond lengths are 3.21 Å. In the third Mg site, Mg is bonded in a distorted q6 geometry to five Sr and four Mg atoms.