Materials Data on In3Ag by Materials Project

Dataset · Fri Jul 24 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1665428· OSTI ID:1665428

AgIn3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve In atoms to form AgIn12 cuboctahedra that share corners with four equivalent AgIn12 cuboctahedra, corners with eight equivalent InIn8Ag4 cuboctahedra, edges with eight equivalent AgIn12 cuboctahedra, edges with sixteen equivalent InIn8Ag4 cuboctahedra, faces with four equivalent AgIn12 cuboctahedra, and faces with fourteen InIn8Ag4 cuboctahedra. There are four shorter (3.18 Å) and eight longer (3.30 Å) Ag–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Ag and eight In atoms to form InIn8Ag4 cuboctahedra that share corners with twelve equivalent InIn8Ag4 cuboctahedra, edges with eight equivalent AgIn12 cuboctahedra, edges with sixteen InIn8Ag4 cuboctahedra, faces with four equivalent AgIn12 cuboctahedra, and faces with fourteen InIn8Ag4 cuboctahedra. There are four shorter (3.18 Å) and four longer (3.30 Å) In–In bond lengths. In the second In site, In is bonded to four equivalent Ag and eight equivalent In atoms to form InIn8Ag4 cuboctahedra that share corners with four equivalent InIn8Ag4 cuboctahedra, corners with eight equivalent AgIn12 cuboctahedra, edges with twenty-four InIn8Ag4 cuboctahedra, faces with six equivalent AgIn12 cuboctahedra, and faces with twelve InIn8Ag4 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: 1665428
• Report Number(s): mp-1184493
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ag-In
In3Ag
crystal structure