U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KZnCl3O by Materials Project
Abstract
KZnOCl3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to one O and seven Cl atoms. The K–O bond length is 3.35 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.37 Å. Zn is bonded in a tetrahedral geometry to one O and three Cl atoms. The Zn–O bond length is 1.98 Å. There are a spread of Zn–Cl bond distances ranging from 2.25–2.33 Å. O is bonded in a single-bond geometry to one K and one Zn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom. In the third Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191891
- 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; KZnCl3O; Cl-K-O-Zn
- OSTI Identifier:
- 1674911
- DOI:
- https://doi.org/10.17188/1674911
Citation Formats
The Materials Project. Materials Data on KZnCl3O by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1674911.
The Materials Project. Materials Data on KZnCl3O by Materials Project. United States. doi:https://doi.org/10.17188/1674911
The Materials Project. 2019.
"Materials Data on KZnCl3O by Materials Project". United States. doi:https://doi.org/10.17188/1674911. https://www.osti.gov/servlets/purl/1674911. Pub date:Thu Sep 05 00:00:00 EDT 2019
@article{osti_1674911,
title = {Materials Data on KZnCl3O by Materials Project},
author = {The Materials Project},
abstractNote = {KZnOCl3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to one O and seven Cl atoms. The K–O bond length is 3.35 Å. There are a spread of K–Cl bond distances ranging from 3.13–3.37 Å. Zn is bonded in a tetrahedral geometry to one O and three Cl atoms. The Zn–O bond length is 1.98 Å. There are a spread of Zn–Cl bond distances ranging from 2.25–2.33 Å. O is bonded in a single-bond geometry to one K and one Zn atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 4-coordinate geometry to three equivalent K and one Zn atom. In the second Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom. In the third Cl site, Cl is bonded in a 1-coordinate geometry to two equivalent K and one Zn atom.},
doi = {10.17188/1674911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}