Materials Data on Sn(PS3)2 by Materials Project

doi:10.17188/1207170

Title: Materials Data on Sn(PS3)2 by Materials Project

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Abstract

SnP2S6 crystallizes in the trigonal R3 space group. The structure is two-dimensional and consists of three SnP2S6 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in an octahedral geometry to six S2- atoms. All Sn–S bond lengths are 2.62 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Sn2+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Sn2+ and one P5+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-36381

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; Sn(PS3)2; P-S-Sn

OSTI Identifier:: 1207170

DOI:: https://doi.org/10.17188/1207170

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                    The Materials Project. Materials Data on Sn(PS3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207170.

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                    The Materials Project. Materials Data on Sn(PS3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207170

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                    The Materials Project. 2020.  
"Materials Data on Sn(PS3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207170.  https://www.osti.gov/servlets/purl/1207170. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1207170,

  title        = {Materials Data on Sn(PS3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SnP2S6 crystallizes in the trigonal R3 space group. The structure is two-dimensional and consists of three SnP2S6 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in an octahedral geometry to six S2- atoms. All Sn–S bond lengths are 2.62 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. In the second P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All P–S bond lengths are 2.04 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Sn2+ and one P5+ atom. In the second S2- site, S2- is bonded in a water-like geometry to one Sn2+ and one P5+ atom.},

  doi          = {10.17188/1207170},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1207170

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