Materials Data on LiBH by Materials Project

doi:10.17188/1199665

Title: Materials Data on LiBH by Materials Project

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Abstract

LiBH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiBH sheets oriented in the (0, 1, 0) direction. Li is bonded in a 3-coordinate geometry to three equivalent H atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Li–H bond lengths. B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.28 Å. H is bonded to three equivalent Li and one B atom to form corner-sharing HLi3B trigonal pyramids.

Authors:: The Materials Project

Publication Date:: Fri May 12 00:00:00 EDT 2017

Other Number(s):: mp-23694

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; LiBH; B-H-Li

OSTI Identifier:: 1199665

DOI:: https://doi.org/10.17188/1199665

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                    The Materials Project. Materials Data on LiBH by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1199665.

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                    The Materials Project. Materials Data on LiBH by Materials Project.  United States.  doi:https://doi.org/10.17188/1199665

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                    The Materials Project. 2017.  
"Materials Data on LiBH by Materials Project".  United States.  doi:https://doi.org/10.17188/1199665.  https://www.osti.gov/servlets/purl/1199665. Pub date:Fri May 12 00:00:00 EDT 2017

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@article{osti_1199665,

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

  author       = {The Materials Project},

  abstractNote = {LiBH crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two LiBH sheets oriented in the (0, 1, 0) direction. Li is bonded in a 3-coordinate geometry to three equivalent H atoms. There are two shorter (1.94 Å) and one longer (2.07 Å) Li–H bond lengths. B is bonded in a distorted single-bond geometry to one H atom. The B–H bond length is 1.28 Å. H is bonded to three equivalent Li and one B atom to form corner-sharing HLi3B trigonal pyramids.},

  doi          = {10.17188/1199665},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 12 00:00:00 EDT 2017},

  month        = {Fri May 12 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1199665

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