Materials Data on BiSI by Materials Project

doi:10.17188/1199562

Title: Materials Data on BiSI by Materials Project

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Abstract

BiSI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent I1- atoms to form distorted edge-sharing BiS3I2 square pyramids. There are one shorter (2.61 Å) and two longer (2.78 Å) Bi–S bond lengths. Both Bi–I bond lengths are 3.22 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-23514

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; BiSI; Bi-I-S

OSTI Identifier:: 1199562

DOI:: https://doi.org/10.17188/1199562

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                    The Materials Project. Materials Data on BiSI by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199562.

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                    The Materials Project. Materials Data on BiSI by Materials Project.  United States.  doi:https://doi.org/10.17188/1199562

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                    The Materials Project. 2020.  
"Materials Data on BiSI by Materials Project".  United States.  doi:https://doi.org/10.17188/1199562.  https://www.osti.gov/servlets/purl/1199562. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199562,

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

  author       = {The Materials Project},

  abstractNote = {BiSI crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two BiSI ribbons oriented in the (1, 0, 0) direction. Bi3+ is bonded to three equivalent S2- and two equivalent I1- atoms to form distorted edge-sharing BiS3I2 square pyramids. There are one shorter (2.61 Å) and two longer (2.78 Å) Bi–S bond lengths. Both Bi–I bond lengths are 3.22 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Bi3+ atoms.},

  doi          = {10.17188/1199562},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199562

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