Materials Data on K2PuCl5 by Materials Project
Abstract
K2PuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.10–3.39 Å. Pu3+ is bonded to seven Cl1- atoms to form edge-sharing PuCl7 pentagonal bipyramids. There are a spread of Pu–Cl bond distances ranging from 2.73–2.83 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pu3+ atom to form distorted corner-sharing ClK4Pu trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pu3+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29334
- 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; K2PuCl5; Cl-K-Pu
- OSTI Identifier:
- 1203692
- DOI:
- https://doi.org/10.17188/1203692
Citation Formats
The Materials Project. Materials Data on K2PuCl5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203692.
The Materials Project. Materials Data on K2PuCl5 by Materials Project. United States. doi:https://doi.org/10.17188/1203692
The Materials Project. 2020.
"Materials Data on K2PuCl5 by Materials Project". United States. doi:https://doi.org/10.17188/1203692. https://www.osti.gov/servlets/purl/1203692. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1203692,
title = {Materials Data on K2PuCl5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PuCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.10–3.39 Å. Pu3+ is bonded to seven Cl1- atoms to form edge-sharing PuCl7 pentagonal bipyramids. There are a spread of Pu–Cl bond distances ranging from 2.73–2.83 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pu3+ atom to form distorted corner-sharing ClK4Pu trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pu3+ atoms. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pu3+ atom.},
doi = {10.17188/1203692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}