U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsRb2PdF5 by Materials Project
Abstract
CsRb2PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.27 Å) and eight longer (3.35 Å) Cs–F bond lengths. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.04 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 Cs1+, three equivalent Rb1+, and one Pd2+ atom. In the second F1- site, F1- is bonded to two equivalent Cs1+ and four equivalent Rb1+ atoms to form corner-sharing FCs2Rb4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8202
- 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; CsRb2PdF5; Cs-F-Pd-Rb
- OSTI Identifier:
- 1307962
- DOI:
- https://doi.org/10.17188/1307962
Citation Formats
The Materials Project. Materials Data on CsRb2PdF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307962.
The Materials Project. Materials Data on CsRb2PdF5 by Materials Project. United States. doi:https://doi.org/10.17188/1307962
The Materials Project. 2020.
"Materials Data on CsRb2PdF5 by Materials Project". United States. doi:https://doi.org/10.17188/1307962. https://www.osti.gov/servlets/purl/1307962. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1307962,
title = {Materials Data on CsRb2PdF5 by Materials Project},
author = {The Materials Project},
abstractNote = {CsRb2PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.27 Å) and eight longer (3.35 Å) Cs–F bond lengths. Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.82–3.04 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 Cs1+, three equivalent Rb1+, and one Pd2+ atom. In the second F1- site, F1- is bonded to two equivalent Cs1+ and four equivalent Rb1+ atoms to form corner-sharing FCs2Rb4 octahedra. The corner-sharing octahedra tilt angles range from 0–32°.},
doi = {10.17188/1307962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}