U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KCd(BO2)3 by Materials Project
Abstract
KCd(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.40 Å. Cd2+ is bonded to five O2- atoms to form edge-sharing CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.19–2.43 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to twomore »
- Publication Date:
- Other Number(s):
- mp-1196758
- 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; B-Cd-K-O; KCd(BO2)3; crystal structure
- OSTI Identifier:
- 1692594
- DOI:
- https://doi.org/10.17188/1692594
Citation Formats
Materials Data on KCd(BO2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1692594.
Materials Data on KCd(BO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1692594
2020.
"Materials Data on KCd(BO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1692594. https://www.osti.gov/servlets/purl/1692594. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1692594,
title = {Materials Data on KCd(BO2)3 by Materials Project},
abstractNote = {KCd(BO2)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.77–3.40 Å. Cd2+ is bonded to five O2- atoms to form edge-sharing CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.19–2.43 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.33 Å) and two longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cd2+, and one B3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent K1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, two equivalent Cd2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one K1+ and two B3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent K1+, one Cd2+, and one B3+ atom.},
doi = {10.17188/1692594},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}