Materials Data on LiSn2(PO4)3 by Materials Project

doi:10.17188/1272348

Title: Materials Data on LiSn2(PO4)3 by Materials Project

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Abstract

LiSn2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.34 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.03 Å) and three longer (2.07 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–44°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-562473

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; LiSn2(PO4)3; Li-O-P-Sn

OSTI Identifier:: 1272348

DOI:: https://doi.org/10.17188/1272348

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                    The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272348.

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                    The Materials Project. Materials Data on LiSn2(PO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272348

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                    The Materials Project. 2020.  
"Materials Data on LiSn2(PO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272348.  https://www.osti.gov/servlets/purl/1272348. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1272348,

  title        = {Materials Data on LiSn2(PO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSn2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Li–O bond lengths are 2.34 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.03 Å) and three longer (2.07 Å) Sn–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 26–44°. There is two shorter (1.53 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sn4+, and one P5+ atom.},

  doi          = {10.17188/1272348},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1272348

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