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Title: Materials Data on Rb3H5Pd by Materials Project

Abstract

Rb3PdH5 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 linear geometry to two equivalent H1- atoms. Both Rb–H bond lengths are 3.05 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Rb–H bond distances ranging from 2.86–3.04 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.67 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six Rb1+ atoms to form corner-sharing HRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second H1- site, H1- is bonded in a rectangular see-saw-like geometry to three equivalent Rb1+ and one Pd2+ atom.

Publication Date:
Other Number(s):
mp-643022
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; Rb3H5Pd; H-Pd-Rb
OSTI Identifier:
1280239
DOI:
10.17188/1280239

Citation Formats

The Materials Project. Materials Data on Rb3H5Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280239.
The Materials Project. Materials Data on Rb3H5Pd by Materials Project. United States. doi:10.17188/1280239.
The Materials Project. 2020. "Materials Data on Rb3H5Pd by Materials Project". United States. doi:10.17188/1280239. https://www.osti.gov/servlets/purl/1280239. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280239,
title = {Materials Data on Rb3H5Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3PdH5 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 linear geometry to two equivalent H1- atoms. Both Rb–H bond lengths are 3.05 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight H1- atoms. There are a spread of Rb–H bond distances ranging from 2.86–3.04 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.67 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to six Rb1+ atoms to form corner-sharing HRb6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. In the second H1- site, H1- is bonded in a rectangular see-saw-like geometry to three equivalent Rb1+ and one Pd2+ atom.},
doi = {10.17188/1280239},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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