Materials Data on Cs2ZnO2 by Materials Project
Abstract
Cs2ZnO2 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 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.91–3.11 Å. In the second Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 trigonal pyramids that share a cornercorner with one ZnO4 tetrahedra, corners with two equivalent CsO4 trigonal pyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.98–3.16 Å. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.68 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 2.95–3.12 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.87–1.98 Å. In the second Zn2+ site, Zn2+ is bonded to fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-504601
- 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; Cs2ZnO2; Cs-O-Zn
- OSTI Identifier:
- 1261832
- DOI:
- https://doi.org/10.17188/1261832
Citation Formats
The Materials Project. Materials Data on Cs2ZnO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1261832.
The Materials Project. Materials Data on Cs2ZnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1261832
The Materials Project. 2020.
"Materials Data on Cs2ZnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1261832. https://www.osti.gov/servlets/purl/1261832. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1261832,
title = {Materials Data on Cs2ZnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2ZnO2 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 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 2.91–3.11 Å. In the second Cs1+ site, Cs1+ is bonded to four O2- atoms to form distorted CsO4 trigonal pyramids that share a cornercorner with one ZnO4 tetrahedra, corners with two equivalent CsO4 trigonal pyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 2.98–3.16 Å. In the third Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.68 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 2.95–3.12 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.87–1.98 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share a cornercorner with one CsO4 trigonal pyramid, an edgeedge with one ZnO4 tetrahedra, and an edgeedge with one CsO4 trigonal pyramid. There are a spread of Zn–O bond distances ranging from 2.03–2.07 Å. There are four 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 2-coordinate geometry to five Cs1+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+ and two Zn2+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Cs1+ and two Zn2+ atoms.},
doi = {10.17188/1261832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}