DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CuH4(ClO)2 by Materials Project

Abstract

CuH4(OCl)2 crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu2+ is bonded in a distorted square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.94 Å. Both Cu–Cl bond lengths are 2.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.

Publication Date:
Other Number(s):
mp-23875
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CuH4(ClO)2; Cl-Cu-H-O
OSTI Identifier:
1199775
DOI:
https://doi.org/10.17188/1199775

Citation Formats

The Materials Project. Materials Data on CuH4(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199775.
The Materials Project. Materials Data on CuH4(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1199775
The Materials Project. 2020. "Materials Data on CuH4(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1199775. https://www.osti.gov/servlets/purl/1199775. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199775,
title = {Materials Data on CuH4(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuH4(OCl)2 crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu2+ is bonded in a distorted square co-planar geometry to two equivalent O2- and two equivalent Cl1- atoms. Both Cu–O bond lengths are 1.94 Å. Both Cu–Cl bond lengths are 2.29 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom.},
doi = {10.17188/1199775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}