Materials Data on InBrO by Materials Project

doi:10.17188/1201902

Title: Materials Data on InBrO by Materials Project

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Abstract

InOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one InOBr sheet oriented in the (0, 0, 1) direction. In3+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing InBr2O4 octahedra. The corner-sharing octahedral tilt angles are 36°. There are two shorter (2.17 Å) and two longer (2.28 Å) In–O bond lengths. Both In–Br bond lengths are 2.71 Å. O2- is bonded to four equivalent In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent In3+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-27703

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; InBrO; Br-In-O

OSTI Identifier:: 1201902

DOI:: https://doi.org/10.17188/1201902

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                    The Materials Project. Materials Data on InBrO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201902.

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                    The Materials Project. Materials Data on InBrO by Materials Project.  United States.  doi:https://doi.org/10.17188/1201902

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                    The Materials Project. 2020.  
"Materials Data on InBrO by Materials Project".  United States.  doi:https://doi.org/10.17188/1201902.  https://www.osti.gov/servlets/purl/1201902. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1201902,

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

  author       = {The Materials Project},

  abstractNote = {InOBr crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one InOBr sheet oriented in the (0, 0, 1) direction. In3+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing InBr2O4 octahedra. The corner-sharing octahedral tilt angles are 36°. There are two shorter (2.17 Å) and two longer (2.28 Å) In–O bond lengths. Both In–Br bond lengths are 2.71 Å. O2- is bonded to four equivalent In3+ atoms to form a mixture of edge and corner-sharing OIn4 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent In3+ atoms.},

  doi          = {10.17188/1201902},

  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/10.17188/1201902

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