Materials Data on MgAg5 by Materials Project
MgAg5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Ag atoms to form MgAg12 cuboctahedra that share corners with eighteen equivalent AgMg3Ag9 cuboctahedra, edges with six equivalent MgAg12 cuboctahedra, edges with twelve equivalent AgMg2Ag10 cuboctahedra, faces with two equivalent MgAg12 cuboctahedra, and faces with eighteen AgMg3Ag9 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.96 Å) Mg–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to three equivalent Mg and nine Ag atoms to form distorted AgMg3Ag9 cuboctahedra that share corners with nine equivalent MgAg12 cuboctahedra, corners with nine equivalent AgMg3Ag9 cuboctahedra, edges with eighteen AgMg3Ag9 cuboctahedra, faces with three equivalent MgAg12 cuboctahedra, and faces with seventeen AgMg3Ag9 cuboctahedra. There are three shorter (2.94 Å) and six longer (2.96 Å) Ag–Ag bond lengths. In the second Ag site, Ag is bonded to two equivalent Mg and ten Ag atoms to form distorted AgMg2Ag10 cuboctahedra that share corners with eighteen equivalent AgMg2Ag10 cuboctahedra, edges with four equivalent MgAg12 cuboctahedra, edges with fourteen AgMg3Ag9 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with sixteen AgMg3Ag9 cuboctahedra. All Ag–Ag bond lengths are 2.94 Å.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1663388
- Report Number(s):
- mp-1185833
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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