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Title: Materials Data on Na2H4Pd by Materials Project

Abstract

Na2PdH4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. H1- is bonded to four Na1+ and one Pd2+ atom to form a mixture of edge, corner, and face-sharing HNa4Pd square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-643260
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; Na2H4Pd; H-Na-Pd
OSTI Identifier:
1280279
DOI:
https://doi.org/10.17188/1280279

Citation Formats

The Materials Project. Materials Data on Na2H4Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280279.
The Materials Project. Materials Data on Na2H4Pd by Materials Project. United States. doi:https://doi.org/10.17188/1280279
The Materials Project. 2020. "Materials Data on Na2H4Pd by Materials Project". United States. doi:https://doi.org/10.17188/1280279. https://www.osti.gov/servlets/purl/1280279. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280279,
title = {Materials Data on Na2H4Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Na2PdH4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. In the second Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Na–H bond lengths are 2.53 Å. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent H1- atoms. All Pd–H bond lengths are 1.65 Å. H1- is bonded to four Na1+ and one Pd2+ atom to form a mixture of edge, corner, and face-sharing HNa4Pd square pyramids.},
doi = {10.17188/1280279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}