U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn3Sb by Materials Project
Abstract
Zn3Sb is Uranium Silicide-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 Sb atoms to form distorted ZnZn8Sb4 cuboctahedra that share corners with twelve equivalent ZnZn8Sb4 cuboctahedra, edges with eight equivalent ZnZn8Sb4 cuboctahedra, edges with eight equivalent SbZn12 cuboctahedra, faces with four equivalent SbZn12 cuboctahedra, and faces with ten equivalent ZnZn8Sb4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.04 Å) Zn–Zn bond lengths. All Zn–Sb bond lengths are 3.04 Å. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to eight equivalent Zn and four equivalent Sb atoms. All Zn–Sb bond lengths are 2.94 Å. Sb is bonded to twelve Zn atoms to form SbZn12 cuboctahedra that share corners with four equivalent SbZn12 cuboctahedra, edges with eight equivalent SbZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Sb4 cuboctahedra, faces with four equivalent SbZn12 cuboctahedra, and faces with eight equivalent ZnZn8Sb4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-971966
- 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; Sb-Zn; Zn3Sb; crystal structure
- OSTI Identifier:
- 1313685
- DOI:
- https://doi.org/10.17188/1313685
Citation Formats
Materials Data on Zn3Sb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313685.
Materials Data on Zn3Sb by Materials Project. United States. doi:https://doi.org/10.17188/1313685
2020.
"Materials Data on Zn3Sb by Materials Project". United States. doi:https://doi.org/10.17188/1313685. https://www.osti.gov/servlets/purl/1313685. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1313685,
title = {Materials Data on Zn3Sb by Materials Project},
abstractNote = {Zn3Sb is Uranium Silicide-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 Sb atoms to form distorted ZnZn8Sb4 cuboctahedra that share corners with twelve equivalent ZnZn8Sb4 cuboctahedra, edges with eight equivalent ZnZn8Sb4 cuboctahedra, edges with eight equivalent SbZn12 cuboctahedra, faces with four equivalent SbZn12 cuboctahedra, and faces with ten equivalent ZnZn8Sb4 cuboctahedra. There are four shorter (2.94 Å) and four longer (3.04 Å) Zn–Zn bond lengths. All Zn–Sb bond lengths are 3.04 Å. In the second Zn site, Zn is bonded in a distorted square co-planar geometry to eight equivalent Zn and four equivalent Sb atoms. All Zn–Sb bond lengths are 2.94 Å. Sb is bonded to twelve Zn atoms to form SbZn12 cuboctahedra that share corners with four equivalent SbZn12 cuboctahedra, edges with eight equivalent SbZn12 cuboctahedra, edges with sixteen equivalent ZnZn8Sb4 cuboctahedra, faces with four equivalent SbZn12 cuboctahedra, and faces with eight equivalent ZnZn8Sb4 cuboctahedra.},
doi = {10.17188/1313685},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}