Materials Data on LiSnPHO5 by Materials Project

doi:10.17188/1288957

Title: Materials Data on LiSnPHO5 by Materials Project

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Abstract

LiSnPHO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.18–2.72 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Sn–H bond lengths are 2.09 Å. There are two shorter (2.26 Å) and two longer (2.50 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.29–2.74 Å. P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.16–1.96 Å. H1+ is bonded in a single-bond geometry to one Sn3+ and one O2- atom. The H–O bond length is 1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Sn3+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom.more »« less

Authors:: The Materials Project

Publication Date:: Fri Feb 14 00:00:00 EST 2014

Other Number(s):: mp-753239

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; LiSnPHO5; H-Li-O-P-Sn

OSTI Identifier:: 1288957

DOI:: https://doi.org/10.17188/1288957

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                    The Materials Project. Materials Data on LiSnPHO5 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1288957.

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                    The Materials Project. Materials Data on LiSnPHO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288957

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                    The Materials Project. 2014.  
"Materials Data on LiSnPHO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288957.  https://www.osti.gov/servlets/purl/1288957. Pub date:Fri Feb 14 00:00:00 EST 2014

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@article{osti_1288957,

  title        = {Materials Data on LiSnPHO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSnPHO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.18–2.72 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in an octahedral geometry to two equivalent H1+ and four O2- atoms. Both Sn–H bond lengths are 2.09 Å. There are two shorter (2.26 Å) and two longer (2.50 Å) Sn–O bond lengths. In the second Sn3+ site, Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sn–O bond distances ranging from 2.29–2.74 Å. P5+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of P–O bond distances ranging from 1.16–1.96 Å. H1+ is bonded in a single-bond geometry to one Sn3+ and one O2- atom. The H–O bond length is 1.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, two Sn3+, and one H1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Li1+, one Sn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+ and one Sn3+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Li1+, one Sn3+, and one P5+ atom.},

  doi          = {10.17188/1288957},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Feb 14 00:00:00 EST 2014},

  month        = {Fri Feb 14 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1288957

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