U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2ZnS2 by Materials Project
Abstract
Na2ZnS2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.77–3.37 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Na–S bond distances ranging from 2.72–3.05 Å. Zn2+ is bonded to four S2- atoms to form a mixture of distorted edge and corner-sharing ZnS4 trigonal pyramids. There are a spread of Zn–S bond distances ranging from 2.25–2.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Na1+ and three equivalent Zn2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1024076
- 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; Na2ZnS2; crystal structure
- OSTI Identifier:
- 1355024
- DOI:
- https://doi.org/10.17188/1355024
Citation Formats
Materials Data on Na2ZnS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355024.
Materials Data on Na2ZnS2 by Materials Project. United States. doi:https://doi.org/10.17188/1355024
2020.
"Materials Data on Na2ZnS2 by Materials Project". United States. doi:https://doi.org/10.17188/1355024. https://www.osti.gov/servlets/purl/1355024. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1355024,
title = {Materials Data on Na2ZnS2 by Materials Project},
abstractNote = {Na2ZnS2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Na–S bond distances ranging from 2.77–3.37 Å. In the second Na1+ site, Na1+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There are a spread of Na–S bond distances ranging from 2.72–3.05 Å. Zn2+ is bonded to four S2- atoms to form a mixture of distorted edge and corner-sharing ZnS4 trigonal pyramids. There are a spread of Zn–S bond distances ranging from 2.25–2.92 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to five Na1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to five Na1+ and three equivalent Zn2+ atoms.},
doi = {10.17188/1355024},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}