Materials Data on SrMg2 by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1757131· OSTI ID:1757131

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.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1757131
• Report Number(s): mp-1094334
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Mg-Sr
SrMg2
crystal structure