Materials Data on BaLiH3 by Materials Project

doi:10.17188/1279350

Title: Materials Data on BaLiH3 by Materials Project

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Abstract

LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one BaH3 framework. In the BaH3 framework, Ba2+ is bonded to six equivalent H1- atoms to form corner-sharing BaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–H bond lengths are 2.53 Å. H1- is bonded in a linear geometry to two equivalent Ba2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-632808

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; BaLiH3; Ba-H-Li

OSTI Identifier:: 1279350

DOI:: https://doi.org/10.17188/1279350

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                    The Materials Project. Materials Data on BaLiH3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279350.

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                    The Materials Project. Materials Data on BaLiH3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279350

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                    The Materials Project. 2020.  
"Materials Data on BaLiH3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279350.  https://www.osti.gov/servlets/purl/1279350. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1279350,

  title        = {Materials Data on BaLiH3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBaH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one lithium molecule and one BaH3 framework. In the BaH3 framework, Ba2+ is bonded to six equivalent H1- atoms to form corner-sharing BaH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–H bond lengths are 2.53 Å. H1- is bonded in a linear geometry to two equivalent Ba2+ atoms.},

  doi          = {10.17188/1279350},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279350

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