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Title: Materials Data on ICl by Materials Project

Abstract

ICl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ICl clusters. there are two inequivalent I sites. In the first I site, I is bonded in a distorted linear geometry to two Cl atoms. There are one shorter (2.41 Å) and one longer (2.76 Å) I–Cl bond lengths. In the second I site, I is bonded in a distorted single-bond geometry to one Cl atom. The I–Cl bond length is 2.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one I atom. In the second Cl site, Cl is bonded in a water-like geometry to two I atoms.

Publication Date:
Other Number(s):
mp-567998
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; ICl; Cl-I
OSTI Identifier:
1274168
DOI:
10.17188/1274168

Citation Formats

The Materials Project. Materials Data on ICl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274168.
The Materials Project. Materials Data on ICl by Materials Project. United States. doi:10.17188/1274168.
The Materials Project. 2020. "Materials Data on ICl by Materials Project". United States. doi:10.17188/1274168. https://www.osti.gov/servlets/purl/1274168. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1274168,
title = {Materials Data on ICl by Materials Project},
author = {The Materials Project},
abstractNote = {ICl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ICl clusters. there are two inequivalent I sites. In the first I site, I is bonded in a distorted linear geometry to two Cl atoms. There are one shorter (2.41 Å) and one longer (2.76 Å) I–Cl bond lengths. In the second I site, I is bonded in a distorted single-bond geometry to one Cl atom. The I–Cl bond length is 2.59 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one I atom. In the second Cl site, Cl is bonded in a water-like geometry to two I atoms.},
doi = {10.17188/1274168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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