U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn3Si by Materials Project
Abstract
Zn3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent Si atoms to form ZnZn8Si4 cuboctahedra that share corners with twelve equivalent ZnZn8Si4 cuboctahedra, edges with eight equivalent SiZn12 cuboctahedra, edges with sixteen ZnZn8Si4 cuboctahedra, faces with four equivalent SiZn12 cuboctahedra, and faces with fourteen ZnZn8Si4 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.79 Å) Zn–Zn bond lengths. All Zn–Si bond lengths are 2.79 Å. In the second Zn site, Zn is bonded to eight equivalent Zn and four equivalent Si atoms to form ZnZn8Si4 cuboctahedra that share corners with four equivalent ZnZn8Si4 cuboctahedra, corners with eight equivalent SiZn12 cuboctahedra, edges with twenty-four ZnZn8Si4 cuboctahedra, faces with six equivalent SiZn12 cuboctahedra, and faces with twelve ZnZn8Si4 cuboctahedra. All Zn–Si bond lengths are 2.78 Å. Si is bonded to twelve Zn atoms to form SiZn12 cuboctahedra that share corners with four equivalent SiZn12 cuboctahedra, corners with eight equivalent ZnZn8Si4 cuboctahedra, edges with eight equivalent SiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Si4 cuboctahedra, faces with four equivalent SiZn12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-1187936
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Si-Zn; Zn3Si; crystal structure
- OSTI Identifier:
- 1705038
- DOI:
- https://doi.org/10.17188/1705038
Citation Formats
Materials Data on Zn3Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705038.
Materials Data on Zn3Si by Materials Project. United States. doi:https://doi.org/10.17188/1705038
2020.
"Materials Data on Zn3Si by Materials Project". United States. doi:https://doi.org/10.17188/1705038. https://www.osti.gov/servlets/purl/1705038. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1705038,
title = {Materials Data on Zn3Si by Materials Project},
abstractNote = {Zn3Si is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent Si atoms to form ZnZn8Si4 cuboctahedra that share corners with twelve equivalent ZnZn8Si4 cuboctahedra, edges with eight equivalent SiZn12 cuboctahedra, edges with sixteen ZnZn8Si4 cuboctahedra, faces with four equivalent SiZn12 cuboctahedra, and faces with fourteen ZnZn8Si4 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.79 Å) Zn–Zn bond lengths. All Zn–Si bond lengths are 2.79 Å. In the second Zn site, Zn is bonded to eight equivalent Zn and four equivalent Si atoms to form ZnZn8Si4 cuboctahedra that share corners with four equivalent ZnZn8Si4 cuboctahedra, corners with eight equivalent SiZn12 cuboctahedra, edges with twenty-four ZnZn8Si4 cuboctahedra, faces with six equivalent SiZn12 cuboctahedra, and faces with twelve ZnZn8Si4 cuboctahedra. All Zn–Si bond lengths are 2.78 Å. Si is bonded to twelve Zn atoms to form SiZn12 cuboctahedra that share corners with four equivalent SiZn12 cuboctahedra, corners with eight equivalent ZnZn8Si4 cuboctahedra, edges with eight equivalent SiZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Si4 cuboctahedra, faces with four equivalent SiZn12 cuboctahedra, and faces with fourteen ZnZn8Si4 cuboctahedra.},
doi = {10.17188/1705038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}