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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Sr and twelve Mg atoms. There are three shorter (3.93 Å) and one longer (4.00 Å) Sr–Sr bond lengths. There are a spread of Sr–Mg bond distances ranging from 3.75–3.83 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Sr and six equivalent Mg atoms to form a mixture of corner, edge, and face-sharing MgSr6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.26 Å. In the second Mg site, Mg is bonded to six equivalent Sr and six Mg atoms to form a mixture of corner, edge, and face-sharing MgSr6Mg6 cuboctahedra. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–Mg bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrMg2 by Materials Project

Mg2Sr crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sr is bonded to three equivalent Sr and nine Mg atoms to form distorted SrSr3Mg9 cuboctahedra that share corners with nine equivalent SrSr3Mg9 cuboctahedra, corners with nine equivalent MgSr6Mg6 cuboctahedra, edges with six equivalent SrSr3Mg9 cuboctahedra, faces with three equivalent MgSr6Mg6 cuboctahedra, and faces with five equivalent SrSr3Mg9 cuboctahedra. All Sr–Sr bond lengths are 3.66 Å. There are six shorter (3.61 Å) and three longer (3.66 Å) Sr–Mg bond lengths. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Sr and four Mg atoms. There are two shorter (3.16 Å) and two longer (3.35 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to six equivalent Sr and six equivalent Mg atoms to form MgSr6Mg6 cuboctahedra that share corners with eighteen equivalent SrSr3Mg9 cuboctahedra, edges with six equivalent MgSr6Mg6 cuboctahedra, faces with two equivalent MgSr6Mg6 cuboctahedra, and faces with six equivalent SrSr3Mg9 cuboctahedra.

36 MATERIALS SCIENCE↗