U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zn3B by Materials Project
Abstract
BZn3 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 B atoms to form distorted ZnZn8B4 cuboctahedra that share corners with twelve equivalent ZnZn8B4 cuboctahedra, edges with eight equivalent BZn12 cuboctahedra, edges with sixteen ZnZn8B4 cuboctahedra, faces with four equivalent BZn12 cuboctahedra, and faces with fourteen ZnZn8B4 cuboctahedra. All Zn–Zn bond lengths are 2.63 Å. All Zn–B bond lengths are 2.63 Å. In the second Zn site, Zn is bonded to eight equivalent Zn and four equivalent B atoms to form ZnZn8B4 cuboctahedra that share corners with four equivalent ZnZn8B4 cuboctahedra, corners with eight equivalent BZn12 cuboctahedra, edges with twenty-four ZnZn8B4 cuboctahedra, faces with six equivalent BZn12 cuboctahedra, and faces with twelve ZnZn8B4 cuboctahedra. All Zn–B bond lengths are 2.63 Å. B is bonded to twelve Zn atoms to form BZn12 cuboctahedra that share corners with four equivalent BZn12 cuboctahedra, corners with eight equivalent ZnZn8B4 cuboctahedra, edges with eight equivalent BZn12 cuboctahedra, edges with sixteen equivalent ZnZn8B4 cuboctahedra, faces with four equivalent BZn12 cuboctahedra, and faces with fourteen ZnZn8B4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-971859
- 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; B-Zn; Zn3B; crystal structure
- OSTI Identifier:
- 1313653
- DOI:
- https://doi.org/10.17188/1313653
Citation Formats
Materials Data on Zn3B by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313653.
Materials Data on Zn3B by Materials Project. United States. doi:https://doi.org/10.17188/1313653
2020.
"Materials Data on Zn3B by Materials Project". United States. doi:https://doi.org/10.17188/1313653. https://www.osti.gov/servlets/purl/1313653. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1313653,
title = {Materials Data on Zn3B by Materials Project},
abstractNote = {BZn3 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 B atoms to form distorted ZnZn8B4 cuboctahedra that share corners with twelve equivalent ZnZn8B4 cuboctahedra, edges with eight equivalent BZn12 cuboctahedra, edges with sixteen ZnZn8B4 cuboctahedra, faces with four equivalent BZn12 cuboctahedra, and faces with fourteen ZnZn8B4 cuboctahedra. All Zn–Zn bond lengths are 2.63 Å. All Zn–B bond lengths are 2.63 Å. In the second Zn site, Zn is bonded to eight equivalent Zn and four equivalent B atoms to form ZnZn8B4 cuboctahedra that share corners with four equivalent ZnZn8B4 cuboctahedra, corners with eight equivalent BZn12 cuboctahedra, edges with twenty-four ZnZn8B4 cuboctahedra, faces with six equivalent BZn12 cuboctahedra, and faces with twelve ZnZn8B4 cuboctahedra. All Zn–B bond lengths are 2.63 Å. B is bonded to twelve Zn atoms to form BZn12 cuboctahedra that share corners with four equivalent BZn12 cuboctahedra, corners with eight equivalent ZnZn8B4 cuboctahedra, edges with eight equivalent BZn12 cuboctahedra, edges with sixteen equivalent ZnZn8B4 cuboctahedra, faces with four equivalent BZn12 cuboctahedra, and faces with fourteen ZnZn8B4 cuboctahedra.},
doi = {10.17188/1313653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}