Materials Data on Li4Be3P3IO12 by Materials Project

doi:10.17188/1726896

Title: Materials Data on Li4Be3P3IO12 by Materials Project

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Abstract

Li4Be3P3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one I1- atom to form distorted LiIO3 tetrahedra that share corners with three equivalent LiIO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent PO4 tetrahedra. All Li–O bond lengths are 2.00 Å. The Li–I bond length is 2.78 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiIO3 tetrahedra and corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.64 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiIO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one P5+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1211168

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; Li4Be3P3IO12; Be-I-Li-O-P

OSTI Identifier:: 1726896

DOI:: https://doi.org/10.17188/1726896

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                    The Materials Project. Materials Data on Li4Be3P3IO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1726896.

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                    The Materials Project. Materials Data on Li4Be3P3IO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726896

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                    The Materials Project. 2020.  
"Materials Data on Li4Be3P3IO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726896.  https://www.osti.gov/servlets/purl/1726896. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1726896,

  title        = {Materials Data on Li4Be3P3IO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li4Be3P3O12I crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one I1- atom to form distorted LiIO3 tetrahedra that share corners with three equivalent LiIO3 tetrahedra, corners with three equivalent BeO4 tetrahedra, and corners with three equivalent PO4 tetrahedra. All Li–O bond lengths are 2.00 Å. The Li–I bond length is 2.78 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent LiIO3 tetrahedra and corners with four equivalent PO4 tetrahedra. All Be–O bond lengths are 1.64 Å. P5+ is bonded to four equivalent O2- atoms to form PO4 tetrahedra that share corners with four equivalent LiIO3 tetrahedra and corners with four equivalent BeO4 tetrahedra. All P–O bond lengths are 1.55 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Be2+, and one P5+ atom. I1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.},

  doi          = {10.17188/1726896},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1726896

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