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Title: Materials Data on KH2Au(Cl2O)2 by Materials Project

Abstract

KAuH2(OCl2)2 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two KAuH2(OCl2)2 ribbons oriented in the (1, 0, 0) direction. K1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.70 Å) and two longer (2.85 Å) K–O bond lengths. Both K–Cl bond lengths are 3.24 Å. Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Au–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one H1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one K1+ and one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-696650
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; KH2Au(Cl2O)2; Au-Cl-H-K-O
OSTI Identifier:
1285021
DOI:
10.17188/1285021

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KH2Au(Cl2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285021.
Persson, Kristin, & Project, Materials. Materials Data on KH2Au(Cl2O)2 by Materials Project. United States. doi:10.17188/1285021.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KH2Au(Cl2O)2 by Materials Project". United States. doi:10.17188/1285021. https://www.osti.gov/servlets/purl/1285021. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285021,
title = {Materials Data on KH2Au(Cl2O)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KAuH2(OCl2)2 crystallizes in the orthorhombic Pbcn space group. The structure is one-dimensional and consists of two KAuH2(OCl2)2 ribbons oriented in the (1, 0, 0) direction. K1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. There are two shorter (2.70 Å) and two longer (2.85 Å) K–O bond lengths. Both K–Cl bond lengths are 3.24 Å. Au5+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.33 Å) Au–Cl bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one H1+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to one K1+ and one Au5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Au5+ atom.},
doi = {10.17188/1285021},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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