U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Cd(C2O5)2 by Materials Project
Abstract
K2Cd(C2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.18 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.44 Å) Cd–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Cd2+, one C4+, and one O2- atom. The O–O bond length is 2.35 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent K1+ andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1201089
- 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; K2Cd(C2O5)2; C-Cd-K-O
- OSTI Identifier:
- 1713731
- DOI:
- https://doi.org/10.17188/1713731
Citation Formats
The Materials Project. Materials Data on K2Cd(C2O5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1713731.
The Materials Project. Materials Data on K2Cd(C2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1713731
The Materials Project. 2020.
"Materials Data on K2Cd(C2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1713731. https://www.osti.gov/servlets/purl/1713731. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1713731,
title = {Materials Data on K2Cd(C2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Cd(C2O5)2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.67–3.18 Å. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.44 Å) Cd–O bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.26 Å. In the second C4+ site, C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Cd2+, one C4+, and one O2- atom. The O–O bond length is 2.35 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent K1+ and two O2- atoms. The O–O bond length is 3.01 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Cd2+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Cd2+, one C4+, and one O2- atom.},
doi = {10.17188/1713731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}