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Materials Data on Mg5Ag by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1750295· OSTI ID:1750295
Mg5Ag crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Ag atoms to form distorted MgMg9Ag3 cuboctahedra that share corners with nine equivalent MgMg9Ag3 cuboctahedra, corners with nine equivalent AgMg12 cuboctahedra, edges with eighteen MgMg9Ag3 cuboctahedra, faces with three equivalent AgMg12 cuboctahedra, and faces with seventeen MgMg9Ag3 cuboctahedra. There are six shorter (3.09 Å) and three longer (3.11 Å) Mg–Mg bond lengths. All Mg–Ag bond lengths are 3.11 Å. In the second Mg site, Mg is bonded to ten Mg and two equivalent Ag atoms to form distorted MgMg10Ag2 cuboctahedra that share corners with eighteen equivalent MgMg10Ag2 cuboctahedra, edges with four equivalent AgMg12 cuboctahedra, edges with fourteen MgMg9Ag3 cuboctahedra, faces with four equivalent AgMg12 cuboctahedra, and faces with sixteen MgMg9Ag3 cuboctahedra. There are two shorter (3.02 Å) and four longer (3.16 Å) Mg–Mg bond lengths. Both Mg–Ag bond lengths are 3.04 Å. Ag is bonded to twelve Mg atoms to form AgMg12 cuboctahedra that share corners with eighteen equivalent MgMg9Ag3 cuboctahedra, edges with six equivalent AgMg12 cuboctahedra, edges with twelve equivalent MgMg10Ag2 cuboctahedra, faces with two equivalent AgMg12 cuboctahedra, and faces with eighteen MgMg9Ag3 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:
1750295
Report Number(s):
mp-1185801
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
Ag-Mg
Mg5Ag
crystal structure