Materials Data on In2Se3 by Materials Project

doi:10.17188/1349826

Title: Materials Data on In2Se3 by Materials Project

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Abstract

In2Se3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one In2Se3 sheet oriented in the (0, 0, 1) direction. In3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.68 Å) and three longer (2.99 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent In3+ atoms to form edge-sharing SeIn6 octahedra. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent In3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1017565

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; In2Se3; In-Se

OSTI Identifier:: 1349826

DOI:: https://doi.org/10.17188/1349826

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                    The Materials Project. Materials Data on In2Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349826.

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                    The Materials Project. Materials Data on In2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349826

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                    The Materials Project. 2020.  
"Materials Data on In2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349826.  https://www.osti.gov/servlets/purl/1349826. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1349826,

  title        = {Materials Data on In2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In2Se3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one In2Se3 sheet oriented in the (0, 0, 1) direction. In3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing InSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.68 Å) and three longer (2.99 Å) In–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to six equivalent In3+ atoms to form edge-sharing SeIn6 octahedra. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent In3+ atoms.},

  doi          = {10.17188/1349826},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1349826

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