Materials Data on ZnAg3 by Materials Project
Ag3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Zn atoms to form distorted AgZn4Ag8 cuboctahedra that share corners with four equivalent ZnAg12 cuboctahedra, corners with fourteen equivalent AgZn4Ag8 cuboctahedra, edges with six equivalent ZnAg12 cuboctahedra, edges with twelve equivalent AgZn4Ag8 cuboctahedra, faces with four equivalent ZnAg12 cuboctahedra, and faces with sixteen equivalent AgZn4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.94 Å. There are two shorter (2.87 Å) and two longer (2.91 Å) Ag–Zn bond lengths. Zn is bonded to twelve equivalent Ag atoms to form ZnAg12 cuboctahedra that share corners with six equivalent ZnAg12 cuboctahedra, corners with twelve equivalent AgZn4Ag8 cuboctahedra, edges with eighteen equivalent AgZn4Ag8 cuboctahedra, faces with eight equivalent ZnAg12 cuboctahedra, and faces with twelve equivalent AgZn4Ag8 cuboctahedra.
- 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:
- 1684420
- Report Number(s):
- mp-1187952
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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