U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Zn6O7 by Materials Project
Abstract
K2Zn6O7 crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.13 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.08 Å. In the second Zn2+ site, Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.89–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and four Zn2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and four Zn2+ atoms. In the third O2- site, O2- is bonded to four equivalent K1+ and two equivalent Zn2+ atoms to form distorted edge-sharing OK4Zn2 octahedra.
- Publication Date:
- Other Number(s):
- mp-540728
- 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; crystal structure; K-O-Zn; K2Zn6O7
- OSTI Identifier:
- 1264747
- DOI:
- https://doi.org/10.17188/1264747
Citation Formats
Materials Data on K2Zn6O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264747.
Materials Data on K2Zn6O7 by Materials Project. United States. doi:https://doi.org/10.17188/1264747
2020.
"Materials Data on K2Zn6O7 by Materials Project". United States. doi:https://doi.org/10.17188/1264747. https://www.osti.gov/servlets/purl/1264747. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1264747,
title = {Materials Data on K2Zn6O7 by Materials Project},
abstractNote = {K2Zn6O7 crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.13 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form corner-sharing ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.97–2.08 Å. In the second Zn2+ site, Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.89–2.52 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+ and four Zn2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and four Zn2+ atoms. In the third O2- site, O2- is bonded to four equivalent K1+ and two equivalent Zn2+ atoms to form distorted edge-sharing OK4Zn2 octahedra.},
doi = {10.17188/1264747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}