Materials Data on Sn3P4 by Materials Project

doi:10.17188/1283921

Title: Materials Data on Sn3P4 by Materials Project

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Abstract

Sn3P4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Sn3P4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with four equivalent PSn3P tetrahedra. There are two shorter (2.65 Å) and two longer (2.70 Å) Sn–P bond lengths. In the second Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.80 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three Sn4+ and one P3- atom to form distorted corner-sharing PSn3P tetrahedra. The P–P bond length is 2.18 Å. In the second P3- site, P3- is bonded to three equivalent Sn4+ and one P3- atom to form PSn3P tetrahedra that share corners with two equivalent SnP4 tetrahedra and corners with nine PSn3P tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-684588

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; Sn3P4; P-Sn

OSTI Identifier:: 1283921

DOI:: https://doi.org/10.17188/1283921

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                    The Materials Project. Materials Data on Sn3P4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1283921.

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                    The Materials Project. Materials Data on Sn3P4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1283921

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                    The Materials Project. 2020.  
"Materials Data on Sn3P4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1283921.  https://www.osti.gov/servlets/purl/1283921. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1283921,

  title        = {Materials Data on Sn3P4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn3P4 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of one Sn3P4 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent P3- atoms to form SnP4 tetrahedra that share corners with four equivalent SnP4 tetrahedra and corners with four equivalent PSn3P tetrahedra. There are two shorter (2.65 Å) and two longer (2.70 Å) Sn–P bond lengths. In the second Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Sn–P bond distances ranging from 2.69–2.80 Å. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to three Sn4+ and one P3- atom to form distorted corner-sharing PSn3P tetrahedra. The P–P bond length is 2.18 Å. In the second P3- site, P3- is bonded to three equivalent Sn4+ and one P3- atom to form PSn3P tetrahedra that share corners with two equivalent SnP4 tetrahedra and corners with nine PSn3P tetrahedra.},

  doi          = {10.17188/1283921},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1283921

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