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Title: Materials Data on KH2I3O by Materials Project

Abstract

KH2O(I)3 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of six hydriodic acid molecules and two KH2O ribbons oriented in the (1, 0, 0) direction. In each KH2O ribbon, K1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.81 Å) K–O bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1- site, 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 water-like geometry to two equivalent K1+ and two H1- atoms.

Publication Date:
Other Number(s):
mp-696649
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; KH2I3O; H-I-K-O
OSTI Identifier:
1285020
DOI:
10.17188/1285020

Citation Formats

The Materials Project. Materials Data on KH2I3O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285020.
The Materials Project. Materials Data on KH2I3O by Materials Project. United States. doi:10.17188/1285020.
The Materials Project. 2020. "Materials Data on KH2I3O by Materials Project". United States. doi:10.17188/1285020. https://www.osti.gov/servlets/purl/1285020. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1285020,
title = {Materials Data on KH2I3O by Materials Project},
author = {The Materials Project},
abstractNote = {KH2O(I)3 crystallizes in the monoclinic Pc space group. The structure is one-dimensional and consists of six hydriodic acid molecules and two KH2O ribbons oriented in the (1, 0, 0) direction. In each KH2O ribbon, K1+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. There are one shorter (2.77 Å) and one longer (2.81 Å) K–O bond lengths. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1- site, 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 water-like geometry to two equivalent K1+ and two H1- atoms.},
doi = {10.17188/1285020},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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