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Title: Materials Data on Na4H4PdPt by Materials Project

Abstract

Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of edge and corner-sharing NaH5 square pyramids. There are one shorter (2.40 Å) and four longer (2.58 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of distorted edge and corner-sharing NaH5 square pyramids. There are one shorter (2.42 Å) and four longer (2.58 Å) Na–H bond lengths. Pt2- is bonded in a linear geometry to two equivalent H1- atoms. Both Pt–H bond lengths are 1.67 Å. Pd2+ is bonded in a linear geometry to two equivalent H1- atoms. Both Pd–H bond lengths are 1.70 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to five Na1+ and one Pt2- atom to form a mixture of edge and corner-sharing HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second H1- site, H1- is bonded to five Na1+ and one Pd2+ atom to form HNa5Pd octahedra that share corners with five equivalent HNa5Pd octahedra and edges withmore » eight HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–6°.« less

Authors:
Publication Date:
Other Number(s):
mp-1221165
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; Na4H4PdPt; H-Na-Pd-Pt
OSTI Identifier:
1748394
DOI:
https://doi.org/10.17188/1748394

Citation Formats

The Materials Project. Materials Data on Na4H4PdPt by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748394.
The Materials Project. Materials Data on Na4H4PdPt by Materials Project. United States. doi:https://doi.org/10.17188/1748394
The Materials Project. 2020. "Materials Data on Na4H4PdPt by Materials Project". United States. doi:https://doi.org/10.17188/1748394. https://www.osti.gov/servlets/purl/1748394. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1748394,
title = {Materials Data on Na4H4PdPt by Materials Project},
author = {The Materials Project},
abstractNote = {Na4PtPdH4 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of edge and corner-sharing NaH5 square pyramids. There are one shorter (2.40 Å) and four longer (2.58 Å) Na–H bond lengths. In the second Na1+ site, Na1+ is bonded to five H1- atoms to form a mixture of distorted edge and corner-sharing NaH5 square pyramids. There are one shorter (2.42 Å) and four longer (2.58 Å) Na–H bond lengths. Pt2- is bonded in a linear geometry to two equivalent H1- atoms. Both Pt–H bond lengths are 1.67 Å. Pd2+ is bonded in a linear geometry to two equivalent H1- atoms. Both Pd–H bond lengths are 1.70 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to five Na1+ and one Pt2- atom to form a mixture of edge and corner-sharing HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–7°. In the second H1- site, H1- is bonded to five Na1+ and one Pd2+ atom to form HNa5Pd octahedra that share corners with five equivalent HNa5Pd octahedra and edges with eight HNa5Pt octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},
doi = {10.17188/1748394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}