Materials Data on SrMg3 by Materials Project

Abstract

SrMg3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. In the second Sr site, Sr is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. There are a spread of Sr–Mg bond distances ranging from 3.33–3.85 Å. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg atoms. All Mg–Mg bond lengths are 3.33 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four Sr and four Mg atoms. Both Mg–Mg bond lengths are 3.33 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and eight equivalent Mg atoms.