U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Zn3S4 by Materials Project
Abstract
Na2Zn3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Na–S bond distances ranging from 3.05–3.48 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.48 Å) Zn–S bond lengths. S2- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1024069
- 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; Na-S-Zn; Na2Zn3S4; crystal structure
- OSTI Identifier:
- 1355018
- DOI:
- https://doi.org/10.17188/1355018
Citation Formats
Materials Data on Na2Zn3S4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355018.
Materials Data on Na2Zn3S4 by Materials Project. United States. doi:https://doi.org/10.17188/1355018
2020.
"Materials Data on Na2Zn3S4 by Materials Project". United States. doi:https://doi.org/10.17188/1355018. https://www.osti.gov/servlets/purl/1355018. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1355018,
title = {Materials Data on Na2Zn3S4 by Materials Project},
abstractNote = {Na2Zn3S4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight equivalent S2- atoms. There are a spread of Na–S bond distances ranging from 3.05–3.48 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing ZnS4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.48 Å) Zn–S bond lengths. S2- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three Zn2+ atoms.},
doi = {10.17188/1355018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}