Materials Data on LiZnPS4 by Materials Project

doi:10.17188/1187611

Title: Materials Data on LiZnPS4 by Materials Project

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Abstract

LiZnPS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Li–S bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent ZnS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-11175

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; LiZnPS4; Li-P-S-Zn

OSTI Identifier:: 1187611

DOI:: https://doi.org/10.17188/1187611

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                    The Materials Project. Materials Data on LiZnPS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187611.

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                    The Materials Project. Materials Data on LiZnPS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187611

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                    The Materials Project. 2020.  
"Materials Data on LiZnPS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187611.  https://www.osti.gov/servlets/purl/1187611. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1187611,

  title        = {Materials Data on LiZnPS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiZnPS4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with four equivalent ZnS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Li–S bond lengths are 2.46 Å. Zn2+ is bonded to four equivalent S2- atoms to form ZnS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent PS4 tetrahedra. All Zn–S bond lengths are 2.36 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share corners with four equivalent LiS4 tetrahedra and corners with four equivalent ZnS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in a trigonal non-coplanar geometry to one Li1+, one Zn2+, and one P5+ atom.},

  doi          = {10.17188/1187611},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1187611

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