U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Zn2Se3 by Materials Project
Abstract
Na2Zn2Se3 is Spinel-like structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.90–3.14 Å. Zn2+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing ZnSe4 tetrahedra. There are a spread of Zn–Se bond distances ranging from 2.42–2.57 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Na1+ and three equivalent Zn2+ atoms to form distorted SeNa3Zn3 pentagonal pyramids that share corners with six equivalent SeNa2Zn2 tetrahedra and edges with six equivalent SeNa3Zn3 pentagonal pyramids. In the second Se2- site, Se2- is bonded to two equivalent Na1+ and two equivalent Zn2+ atoms to form distorted corner-sharing SeNa2Zn2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1024051
- 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-Se-Zn; Na2Zn2Se3; crystal structure
- OSTI Identifier:
- 1355014
- DOI:
- https://doi.org/10.17188/1355014
Citation Formats
Materials Data on Na2Zn2Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355014.
Materials Data on Na2Zn2Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1355014
2020.
"Materials Data on Na2Zn2Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1355014. https://www.osti.gov/servlets/purl/1355014. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1355014,
title = {Materials Data on Na2Zn2Se3 by Materials Project},
abstractNote = {Na2Zn2Se3 is Spinel-like structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. Na1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Na–Se bond distances ranging from 2.90–3.14 Å. Zn2+ is bonded to four Se2- atoms to form a mixture of edge and corner-sharing ZnSe4 tetrahedra. There are a spread of Zn–Se bond distances ranging from 2.42–2.57 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Na1+ and three equivalent Zn2+ atoms to form distorted SeNa3Zn3 pentagonal pyramids that share corners with six equivalent SeNa2Zn2 tetrahedra and edges with six equivalent SeNa3Zn3 pentagonal pyramids. In the second Se2- site, Se2- is bonded to two equivalent Na1+ and two equivalent Zn2+ atoms to form distorted corner-sharing SeNa2Zn2 tetrahedra.},
doi = {10.17188/1355014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}