Materials Data on Cr(ClO2)3 by Materials Project
Abstract
Cr(O2Cl)2ClO2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hypochlorous acid;hydrate molecules and two Cr(O2Cl)2 sheets oriented in the (1, 0, 0) direction. In each Cr(O2Cl)2 sheet, Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.69 Å) and two longer (2.04 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.66 Å. Cl is bonded in a bent 120 degrees geometry to one Cr and one O atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181814
- 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; Cr(ClO2)3; Cl-Cr-O
- OSTI Identifier:
- 1690613
- DOI:
- https://doi.org/10.17188/1690613
Citation Formats
The Materials Project. Materials Data on Cr(ClO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1690613.
The Materials Project. Materials Data on Cr(ClO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1690613
The Materials Project. 2020.
"Materials Data on Cr(ClO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1690613. https://www.osti.gov/servlets/purl/1690613. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1690613,
title = {Materials Data on Cr(ClO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr(O2Cl)2ClO2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four hypochlorous acid;hydrate molecules and two Cr(O2Cl)2 sheets oriented in the (1, 0, 0) direction. In each Cr(O2Cl)2 sheet, Cr is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.69 Å) and two longer (2.04 Å) Cr–O bond length. Both Cr–Cl bond lengths are 2.46 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cr and one Cl atom. The O–Cl bond length is 1.66 Å. Cl is bonded in a bent 120 degrees geometry to one Cr and one O atom.},
doi = {10.17188/1690613},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}