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Title: Materials Data on Cd2Cl4O5 by Materials Project

Abstract

(CdCl2)4(O2)5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four trioxidane molecules; and one CdCl2 sheet oriented in the (1, 0, 0) direction. In the CdCl2 sheet, there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four Cl atoms to form a mixture of distorted corner and edge-sharing CdCl4 tetrahedra. There are a spread of Cd–Cl bond distances ranging from 2.50–2.58 Å. In the second Cd site, Cd is bonded to four Cl atoms to form a mixture of corner and edge-sharing CdCl4 trigonal pyramids. There are a spread of Cd–Cl bond distances ranging from 2.46–2.57 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two Cd atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two Cd atoms. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two Cd atoms. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two Cd atoms.

Authors:
Publication Date:
Other Number(s):
mp-1204349
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; Cd2Cl4O5; Cd-Cl-O
OSTI Identifier:
1738104
DOI:
https://doi.org/10.17188/1738104

Citation Formats

The Materials Project. Materials Data on Cd2Cl4O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738104.
The Materials Project. Materials Data on Cd2Cl4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1738104
The Materials Project. 2020. "Materials Data on Cd2Cl4O5 by Materials Project". United States. doi:https://doi.org/10.17188/1738104. https://www.osti.gov/servlets/purl/1738104. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1738104,
title = {Materials Data on Cd2Cl4O5 by Materials Project},
author = {The Materials Project},
abstractNote = {(CdCl2)4(O2)5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four trioxidane molecules; and one CdCl2 sheet oriented in the (1, 0, 0) direction. In the CdCl2 sheet, there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to four Cl atoms to form a mixture of distorted corner and edge-sharing CdCl4 tetrahedra. There are a spread of Cd–Cl bond distances ranging from 2.50–2.58 Å. In the second Cd site, Cd is bonded to four Cl atoms to form a mixture of corner and edge-sharing CdCl4 trigonal pyramids. There are a spread of Cd–Cl bond distances ranging from 2.46–2.57 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to two Cd atoms. In the second Cl site, Cl is bonded in an L-shaped geometry to two Cd atoms. In the third Cl site, Cl is bonded in a bent 120 degrees geometry to two Cd atoms. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two Cd atoms.},
doi = {10.17188/1738104},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}