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Title: Materials Data on Rb3PdF5 by Materials Project

Abstract

Rb3PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.27 Å) and eight longer (3.29 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.79–3.03 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 five Rb1+ and one Pd2+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.

Publication Date:
Other Number(s):
mp-8201
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Rb3PdF5; F-Pd-Rb
OSTI Identifier:
1307961
DOI:
https://doi.org/10.17188/1307961

Citation Formats

The Materials Project. Materials Data on Rb3PdF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307961.
The Materials Project. Materials Data on Rb3PdF5 by Materials Project. United States. doi:https://doi.org/10.17188/1307961
The Materials Project. 2020. "Materials Data on Rb3PdF5 by Materials Project". United States. doi:https://doi.org/10.17188/1307961. https://www.osti.gov/servlets/purl/1307961. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1307961,
title = {Materials Data on Rb3PdF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3PdF5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted q6 geometry to ten F1- atoms. There are two shorter (3.27 Å) and eight longer (3.29 Å) Rb–F bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Rb–F bond distances ranging from 2.79–3.03 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 five Rb1+ and one Pd2+ atom. In the second F1- site, F1- is bonded to six Rb1+ atoms to form corner-sharing FRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–33°.},
doi = {10.17188/1307961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}