Materials Data on SbSBr by Materials Project

doi:10.17188/1199127

Title: Materials Data on SbSBr by Materials Project

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Abstract

SbSBr crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of two SbSBr ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent S2- and two equivalent Br1- atoms to form edge-sharing SbS3Br2 square pyramids. There are a spread of Sb–S bond distances ranging from 2.50–2.71 Å. There are one shorter (2.93 Å) and one longer (2.96 Å) Sb–Br bond lengths. S2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-22971

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; SbSBr; Br-S-Sb

OSTI Identifier:: 1199127

DOI:: https://doi.org/10.17188/1199127

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                    The Materials Project. Materials Data on SbSBr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199127.

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                    The Materials Project. Materials Data on SbSBr by Materials Project.  United States.  doi:https://doi.org/10.17188/1199127

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                    The Materials Project. 2020.  
"Materials Data on SbSBr by Materials Project".  United States.  doi:https://doi.org/10.17188/1199127.  https://www.osti.gov/servlets/purl/1199127. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1199127,

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

  author       = {The Materials Project},

  abstractNote = {SbSBr crystallizes in the orthorhombic Pna2_1 space group. The structure is one-dimensional and consists of two SbSBr ribbons oriented in the (1, 0, 0) direction. Sb3+ is bonded to three equivalent S2- and two equivalent Br1- atoms to form edge-sharing SbS3Br2 square pyramids. There are a spread of Sb–S bond distances ranging from 2.50–2.71 Å. There are one shorter (2.93 Å) and one longer (2.96 Å) Sb–Br bond lengths. S2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms. Br1- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms.},

  doi          = {10.17188/1199127},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199127

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Materials Data on SbSBr by Materials Project

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