Materials Data on Na2Zn3Se4 by Materials Project
Abstract
Na2Zn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.19–3.56 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.60 Å) Zn–Se bond lengths. Se2- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three Zn2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1024050
- 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; Na2Zn3Se4; Na-Se-Zn
- OSTI Identifier:
- 1355009
- DOI:
- https://doi.org/10.17188/1355009
Citation Formats
The Materials Project. Materials Data on Na2Zn3Se4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355009.
The Materials Project. Materials Data on Na2Zn3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1355009
The Materials Project. 2020.
"Materials Data on Na2Zn3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1355009. https://www.osti.gov/servlets/purl/1355009. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1355009,
title = {Materials Data on Na2Zn3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Zn3Se4 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. There are a spread of Na–Se bond distances ranging from 3.19–3.56 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. All Zn–Se bond lengths are 2.49 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Se2- atoms to form a mixture of corner and edge-sharing ZnSe4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.60 Å) Zn–Se bond lengths. Se2- is bonded in a 7-coordinate geometry to four equivalent Na1+ and three Zn2+ atoms.},
doi = {10.17188/1355009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}