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Title: Materials Data on IClOF by Materials Project

Abstract

OIClF crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OIClF ribbons oriented in the (1, 0, 0) direction. there are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.44 Å) O–I bond lengths. In the second O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.83 Å) and one longer (2.38 Å) O–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a rectangular see-saw-like geometry to two O and two F atoms. There is one shorter (1.97 Å) and one longer (2.00 Å) I–F bond length. In the second I site, I is bonded in a square co-planar geometry to two O and two Cl atoms. Both I–Cl bond lengths are 2.38 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 single-bond geometry to one I atom.more » There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom.« less

Publication Date:
Other Number(s):
mp-558330
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; IClOF; Cl-F-I-O
OSTI Identifier:
1270284
DOI:
https://doi.org/10.17188/1270284

Citation Formats

The Materials Project. Materials Data on IClOF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270284.
The Materials Project. Materials Data on IClOF by Materials Project. United States. doi:https://doi.org/10.17188/1270284
The Materials Project. 2020. "Materials Data on IClOF by Materials Project". United States. doi:https://doi.org/10.17188/1270284. https://www.osti.gov/servlets/purl/1270284. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1270284,
title = {Materials Data on IClOF by Materials Project},
author = {The Materials Project},
abstractNote = {OIClF crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OIClF ribbons oriented in the (1, 0, 0) direction. there are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.44 Å) O–I bond lengths. In the second O site, O is bonded in a bent 120 degrees geometry to two I atoms. There are one shorter (1.83 Å) and one longer (2.38 Å) O–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a rectangular see-saw-like geometry to two O and two F atoms. There is one shorter (1.97 Å) and one longer (2.00 Å) I–F bond length. In the second I site, I is bonded in a square co-planar geometry to two O and two Cl atoms. Both I–Cl bond lengths are 2.38 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 single-bond geometry to one I atom. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one I atom. In the second F site, F is bonded in a single-bond geometry to one I atom.},
doi = {10.17188/1270284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}