Materials Data on SrMg2 by Materials Project

Abstract

Mg2Sr is Magnesium tetraboride-like structured and 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 8-coordinate geometry to eight Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.52–3.87 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.41–3.92 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to three Sr and four Mg atoms. There are two shorter (3.05 Å) and two longer (3.25 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to five Sr and three Mg atoms. The Mg–Mg bond length is 2.99 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to four Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.08 Å. In the fourth Mg site, Mg is bonded in a 9-coordinate geometry to four Sr and three Mg atoms.