Materials Data on SrMg by Materials Project

Abstract

SrMg crystallizes in the orthorhombic Amm2 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 two equivalent Sr and six Mg atoms. Both Sr–Sr bond lengths are 3.89 Å. There are two shorter (3.43 Å) and four longer (3.71 Å) Sr–Mg bond lengths. In the second Sr site, Sr is bonded in a 12-coordinate geometry to four equivalent Sr and four Mg atoms. All Sr–Sr bond lengths are 3.87 Å. There are two shorter (3.47 Å) and two longer (3.65 Å) Sr–Mg bond lengths. In the third Sr site, Sr is bonded to eight Sr and four Mg atoms to form a mixture of distorted face and corner-sharing SrSr8Mg4 cuboctahedra. Both Sr–Sr bond lengths are 3.98 Å. There are two shorter (3.92 Å) and two longer (4.01 Å) Sr–Mg bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Sr atoms. In the second Mg site, Mg is bonded in a 8-coordinate geometry to six Sr and two equivalent Mg atoms. Both Mg–Mg bond lengths are 3.32 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to four Sr and two equivalent Mg atoms.