Materials Data on LiGeBO4 by Materials Project

doi:10.17188/1267375

Title: Materials Data on LiGeBO4 by Materials Project

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Abstract

LiBGeO4 is Chalcostibite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.95 Å) and two longer (2.13 Å) Li–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. There is two shorter (1.48 Å) and two longer (1.54 Å) B–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-549308

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; LiGeBO4; B-Ge-Li-O

OSTI Identifier:: 1267375

DOI:: https://doi.org/10.17188/1267375

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                    The Materials Project. Materials Data on LiGeBO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267375.

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                    The Materials Project. Materials Data on LiGeBO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267375

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                    The Materials Project. 2020.  
"Materials Data on LiGeBO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267375.  https://www.osti.gov/servlets/purl/1267375. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1267375,

  title        = {Materials Data on LiGeBO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiBGeO4 is Chalcostibite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (1.95 Å) and two longer (2.13 Å) Li–O bond lengths. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent GeO4 tetrahedra. There is two shorter (1.48 Å) and two longer (1.54 Å) B–O bond length. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There is two shorter (1.78 Å) and two longer (1.80 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one B3+, and one Ge4+ atom.},

  doi          = {10.17188/1267375},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1267375

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