Materials Data on MgAg3 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1310243· OSTI ID:1310243

Ag3Mg is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ag atoms to form MgAg12 cuboctahedra that share corners with six equivalent MgAg12 cuboctahedra, corners with twelve equivalent AgMg4Ag8 cuboctahedra, edges with eighteen equivalent AgMg4Ag8 cuboctahedra, faces with eight equivalent MgAg12 cuboctahedra, and faces with twelve equivalent AgMg4Ag8 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Mg–Ag bond lengths. Ag is bonded to four equivalent Mg and eight equivalent Ag atoms to form distorted AgMg4Ag8 cuboctahedra that share corners with four equivalent MgAg12 cuboctahedra, corners with fourteen equivalent AgMg4Ag8 cuboctahedra, edges with six equivalent MgAg12 cuboctahedra, edges with twelve equivalent AgMg4Ag8 cuboctahedra, faces with four equivalent MgAg12 cuboctahedra, and faces with sixteen equivalent AgMg4Ag8 cuboctahedra. There are four shorter (2.94 Å) and four longer (2.95 Å) Ag–Ag bond lengths.

• 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: 1310243
• Report Number(s): mp-864934
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-Mg
MgAg3
crystal structure