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Title: Materials Data on Li2H2Pd by Materials Project

Abstract

Li2PdH2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Pd and five equivalent H atoms. All Li–Pd bond lengths are 2.68 Å. There are one shorter (1.96 Å) and four longer (2.21 Å) Li–H bond lengths. Pd is bonded in a 2-coordinate geometry to eight equivalent Li and two equivalent H atoms. Both Pd–H bond lengths are 1.69 Å. H is bonded to five equivalent Li and one Pd atom to form a mixture of distorted edge and corner-sharing HLi5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–9°.

Publication Date:
Other Number(s):
mp-644389
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; Li2H2Pd; H-Li-Pd
OSTI Identifier:
1280442
DOI:
https://doi.org/10.17188/1280442

Citation Formats

The Materials Project. Materials Data on Li2H2Pd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280442.
The Materials Project. Materials Data on Li2H2Pd by Materials Project. United States. doi:https://doi.org/10.17188/1280442
The Materials Project. 2020. "Materials Data on Li2H2Pd by Materials Project". United States. doi:https://doi.org/10.17188/1280442. https://www.osti.gov/servlets/purl/1280442. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280442,
title = {Materials Data on Li2H2Pd by Materials Project},
author = {The Materials Project},
abstractNote = {Li2PdH2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to four equivalent Pd and five equivalent H atoms. All Li–Pd bond lengths are 2.68 Å. There are one shorter (1.96 Å) and four longer (2.21 Å) Li–H bond lengths. Pd is bonded in a 2-coordinate geometry to eight equivalent Li and two equivalent H atoms. Both Pd–H bond lengths are 1.69 Å. H is bonded to five equivalent Li and one Pd atom to form a mixture of distorted edge and corner-sharing HLi5Pd octahedra. The corner-sharing octahedra tilt angles range from 0–9°.},
doi = {10.17188/1280442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}