U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cd(ClO2)2 by Materials Project
Abstract
(Cd2O5Cl4)2(O2)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four oxygen molecules; four water molecules; and two Cd2O5Cl4 ribbons oriented in the (0, 0, 1) direction. In each Cd2O5Cl4 ribbon, there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to one O and four Cl atoms to form edge-sharing CdCl4O square pyramids. The Cd–O bond length is 2.33 Å. There are a spread of Cd–Cl bond distances ranging from 2.58–2.60 Å. In the second Cd site, Cd is bonded to two O and four Cl atoms to form distorted edge-sharing CdCl4O2 octahedra. There are one shorter (2.79 Å) and one longer (2.81 Å) Cd–O bond lengths. There are two shorter (2.53 Å) and two longer (2.55 Å) Cd–Cl bond lengths. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one O atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. In the fourthmore »
- Publication Date:
- Other Number(s):
- mp-1214349
- 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(ClO2)2; Cd-Cl-O; crystal structure
- OSTI Identifier:
- 1700038
- DOI:
- https://doi.org/10.17188/1700038
Citation Formats
Materials Data on Cd(ClO2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700038.
Materials Data on Cd(ClO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1700038
2020.
"Materials Data on Cd(ClO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1700038. https://www.osti.gov/servlets/purl/1700038. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1700038,
title = {Materials Data on Cd(ClO2)2 by Materials Project},
abstractNote = {(Cd2O5Cl4)2(O2)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of four oxygen molecules; four water molecules; and two Cd2O5Cl4 ribbons oriented in the (0, 0, 1) direction. In each Cd2O5Cl4 ribbon, there are two inequivalent Cd sites. In the first Cd site, Cd is bonded to one O and four Cl atoms to form edge-sharing CdCl4O square pyramids. The Cd–O bond length is 2.33 Å. There are a spread of Cd–Cl bond distances ranging from 2.58–2.60 Å. In the second Cd site, Cd is bonded to two O and four Cl atoms to form distorted edge-sharing CdCl4O2 octahedra. There are one shorter (2.79 Å) and one longer (2.81 Å) Cd–O bond lengths. There are two shorter (2.53 Å) and two longer (2.55 Å) Cd–Cl bond lengths. There are five inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one O atom. In the third O site, O is bonded in a single-bond geometry to one Cd atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one O atom. The O–O bond length is 1.23 Å. In the fifth O site, O is bonded in a single-bond geometry to one O atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped 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 an L-shaped geometry to two Cd atoms. In the fourth Cl site, Cl is bonded in an L-shaped geometry to two Cd atoms.},
doi = {10.17188/1700038},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}