Materials Data on Al2ZnS4 by Materials Project
Abstract
ZnAl2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with eight AlS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.27 Å. S2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Al3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1096810
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Al2ZnS4; Al-S-Zn
- OSTI Identifier:
- 1683780
- DOI:
- https://doi.org/10.17188/1683780
Citation Formats
The Materials Project. Materials Data on Al2ZnS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683780.
The Materials Project. Materials Data on Al2ZnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1683780
The Materials Project. 2020.
"Materials Data on Al2ZnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1683780. https://www.osti.gov/servlets/purl/1683780. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683780,
title = {Materials Data on Al2ZnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnAl2S4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with eight AlS4 tetrahedra. All Zn–S bond lengths are 2.37 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.28 Å. In the second Al3+ site, Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent AlS4 tetrahedra. All Al–S bond lengths are 2.27 Å. S2- is bonded in a trigonal non-coplanar geometry to one Zn2+ and two Al3+ atoms.},
doi = {10.17188/1683780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}