U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1204349
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cd-Cl-O; Cd2Cl4O5; crystal structure
- OSTI Identifier:
- 1738104
- DOI:
- https://doi.org/10.17188/1738104
Citation Formats
Materials Data on Cd2Cl4O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738104.
Materials Data on Cd2Cl4O5 by Materials Project. United States. doi:https://doi.org/10.17188/1738104
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},
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}
}