Materials Data on LiP5 by Materials Project

doi:10.17188/1199920

Title: Materials Data on LiP5 by Materials Project

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Abstract

LiP5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six P+0.20- atoms. There are a spread of Li–P bond distances ranging from 2.54–3.14 Å. There are five inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.23 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fifth P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two P+0.20- atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-2412

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; LiP5; Li-P

OSTI Identifier:: 1199920

DOI:: https://doi.org/10.17188/1199920

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                    The Materials Project. Materials Data on LiP5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199920.

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                    The Materials Project. Materials Data on LiP5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199920

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                    The Materials Project. 2020.  
"Materials Data on LiP5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199920.  https://www.osti.gov/servlets/purl/1199920. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1199920,

  title        = {Materials Data on LiP5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiP5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six P+0.20- atoms. There are a spread of Li–P bond distances ranging from 2.54–3.14 Å. There are five inequivalent P+0.20- sites. In the first P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.23 Å) and two longer (2.24 Å) P–P bond lengths. In the second P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to one Li1+ and three P+0.20- atoms. There are one shorter (2.24 Å) and one longer (2.25 Å) P–P bond lengths. In the third P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fourth P+0.20- site, P+0.20- is bonded to one Li1+ and three P+0.20- atoms to form distorted corner-sharing PLiP3 trigonal pyramids. The P–P bond length is 2.19 Å. In the fifth P+0.20- site, P+0.20- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two P+0.20- atoms.},

  doi          = {10.17188/1199920},

  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/10.17188/1199920

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