U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs4ZnO3 by Materials Project
Abstract
Cs4ZnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.11 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.85–3.04 Å. In the third Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted edge-sharing CsO4 trigonal pyramids. There are a spread of Cs–O bond distances ranging from 2.94–3.28 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.90–3.16 Å. Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.93 Å) and two longer (1.94 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ andmore »
- Publication Date:
- Other Number(s):
- mp-1019612
- 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; Cs-O-Zn; Cs4ZnO3; crystal structure
- OSTI Identifier:
- 1350806
- DOI:
- https://doi.org/10.17188/1350806
Citation Formats
Materials Data on Cs4ZnO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350806.
Materials Data on Cs4ZnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1350806
2020.
"Materials Data on Cs4ZnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1350806. https://www.osti.gov/servlets/purl/1350806. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1350806,
title = {Materials Data on Cs4ZnO3 by Materials Project},
abstractNote = {Cs4ZnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.98–3.11 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Cs–O bond distances ranging from 2.85–3.04 Å. In the third Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted edge-sharing CsO4 trigonal pyramids. There are a spread of Cs–O bond distances ranging from 2.94–3.28 Å. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.90–3.16 Å. Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.93 Å) and two longer (1.94 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Zn2+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five Cs1+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Zn2+ atom.},
doi = {10.17188/1350806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}