Materials Data on Cu2H3ClO3 by Materials Project
Abstract
Cu2(OH)3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Cu–O bond lengths are 2.10 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.99 Å. Both Cu–Cl bond lengths are 2.85 Å. H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.08 Å. O2- is bonded in a distorted single-bond geometry to three Cu2+ and one H1+ atom. Cl1- is bonded in a 6-coordinate geometry to three equivalent Cu2+ and three equivalent H1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-642737
- 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; Cu2H3ClO3; Cl-Cu-H-O
- OSTI Identifier:
- 1280156
- DOI:
- https://doi.org/10.17188/1280156
Citation Formats
The Materials Project. Materials Data on Cu2H3ClO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280156.
The Materials Project. Materials Data on Cu2H3ClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1280156
The Materials Project. 2020.
"Materials Data on Cu2H3ClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1280156. https://www.osti.gov/servlets/purl/1280156. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280156,
title = {Materials Data on Cu2H3ClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2(OH)3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted octahedral geometry to six equivalent O2- atoms. All Cu–O bond lengths are 2.10 Å. In the second Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.99 Å. Both Cu–Cl bond lengths are 2.85 Å. H1+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The H–O bond length is 1.00 Å. The H–Cl bond length is 2.08 Å. O2- is bonded in a distorted single-bond geometry to three Cu2+ and one H1+ atom. Cl1- is bonded in a 6-coordinate geometry to three equivalent Cu2+ and three equivalent H1+ atoms.},
doi = {10.17188/1280156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}