Materials Data on K2RbPdF5 by Materials Project
Abstract
RbK2PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.18 Å) and eight longer (3.19 Å) Rb–F bond lengths. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.91 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 1.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three equivalent K1+, and one Pd2+ atom. In the second F1- site, F1- is bonded to two equivalent Rb1+ and four equivalent K1+ atoms to form corner-sharing FK4Rb2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-14334
- 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; K2RbPdF5; F-K-Pd-Rb
- OSTI Identifier:
- 1190616
- DOI:
- https://doi.org/10.17188/1190616
Citation Formats
The Materials Project. Materials Data on K2RbPdF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190616.
The Materials Project. Materials Data on K2RbPdF5 by Materials Project. United States. doi:https://doi.org/10.17188/1190616
The Materials Project. 2020.
"Materials Data on K2RbPdF5 by Materials Project". United States. doi:https://doi.org/10.17188/1190616. https://www.osti.gov/servlets/purl/1190616. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1190616,
title = {Materials Data on K2RbPdF5 by Materials Project},
author = {The Materials Project},
abstractNote = {RbK2PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.18 Å) and eight longer (3.19 Å) Rb–F bond lengths. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.91 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Pd–F bond lengths are 1.99 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 6-coordinate geometry to two equivalent Rb1+, three equivalent K1+, and one Pd2+ atom. In the second F1- site, F1- is bonded to two equivalent Rb1+ and four equivalent K1+ atoms to form corner-sharing FK4Rb2 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},
doi = {10.17188/1190616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}