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

Abstract

CrO2Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two CrO2Cl2 clusters. Cr6+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. Both Cr–O bond lengths are 1.59 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Cr–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1079620
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cr(ClO)2; Cl-Cr-O
OSTI Identifier:
1758582
DOI:
https://doi.org/10.17188/1758582

Citation Formats

The Materials Project. Materials Data on Cr(ClO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758582.
The Materials Project. Materials Data on Cr(ClO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758582
The Materials Project. 2020. "Materials Data on Cr(ClO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758582. https://www.osti.gov/servlets/purl/1758582. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758582,
title = {Materials Data on Cr(ClO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CrO2Cl2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two CrO2Cl2 clusters. Cr6+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. Both Cr–O bond lengths are 1.59 Å. There are one shorter (2.12 Å) and one longer (2.13 Å) Cr–Cl bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cr6+ atom.},
doi = {10.17188/1758582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}