Materials Data on Li2H2Pd by Materials Project

doi:10.17188/1280442

Title: Materials Data on Li2H2Pd by Materials Project

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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°.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-644389

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; Li2H2Pd; H-Li-Pd

OSTI Identifier:: 1280442

DOI:: https://doi.org/10.17188/1280442

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                    The Materials Project. Materials Data on Li2H2Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280442.

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                    The Materials Project. Materials Data on Li2H2Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1280442

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                    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

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@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}

}

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DOI: https://doi.org/10.17188/1280442

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