Materials Data on Sb2Se3 by Materials Project

doi:10.17188/1715840

Title: Materials Data on Sb2Se3 by Materials Project

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Abstract

Sb2Se3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sb2Se3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.58 Å) and two longer (2.72 Å) Sb–Se bond lengths. In the second Sb3+ site, Sb3+ is bonded to five Se2- atoms to form edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.62–3.25 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Sb3+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1179704

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; Sb2Se3; Sb-Se

OSTI Identifier:: 1715840

DOI:: https://doi.org/10.17188/1715840

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                    The Materials Project. Materials Data on Sb2Se3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1715840.

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                    The Materials Project. Materials Data on Sb2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715840

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                    The Materials Project. 2019.  
"Materials Data on Sb2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715840.  https://www.osti.gov/servlets/purl/1715840. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1715840,

  title        = {Materials Data on Sb2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sb2Se3 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sb2Se3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are one shorter (2.58 Å) and two longer (2.72 Å) Sb–Se bond lengths. In the second Sb3+ site, Sb3+ is bonded to five Se2- atoms to form edge-sharing SbSe5 square pyramids. There are a spread of Sb–Se bond distances ranging from 2.62–3.25 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted L-shaped geometry to two equivalent Sb3+ atoms. In the second Se2- site, Se2- is bonded in an L-shaped geometry to two Sb3+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Sb3+ atoms.},

  doi          = {10.17188/1715840},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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