Materials Data on Sn4As3 by Materials Project

doi:10.17188/1188962

Title: Materials Data on Sn4As3 by Materials Project

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Abstract

Sn4As3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4As3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn+2.25+ sites. In the first Sn+2.25+ site, Sn+2.25+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.79 Å. In the second Sn+2.25+ site, Sn+2.25+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.89 Å) and three longer (3.08 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second As3- site, As3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-12531

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; Sn4As3; As-Sn

OSTI Identifier:: 1188962

DOI:: https://doi.org/10.17188/1188962

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                    The Materials Project. Materials Data on Sn4As3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188962.

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                    The Materials Project. Materials Data on Sn4As3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188962

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                    The Materials Project. 2020.  
"Materials Data on Sn4As3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188962.  https://www.osti.gov/servlets/purl/1188962. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188962,

  title        = {Materials Data on Sn4As3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sn4As3 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sn4As3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sn+2.25+ sites. In the first Sn+2.25+ site, Sn+2.25+ is bonded in a distorted T-shaped geometry to three equivalent As3- atoms. All Sn–As bond lengths are 2.79 Å. In the second Sn+2.25+ site, Sn+2.25+ is bonded to six As3- atoms to form a mixture of edge and corner-sharing SnAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.89 Å) and three longer (3.08 Å) Sn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second As3- site, As3- is bonded to six equivalent Sn+2.25+ atoms to form a mixture of edge and corner-sharing AsSn6 octahedra. The corner-sharing octahedral tilt angles are 5°.},

  doi          = {10.17188/1188962},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188962

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