Materials Data on In4As3P by Materials Project

doi:10.17188/1674935

Title: Materials Data on In4As3P by Materials Project

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Abstract

In4As3P crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one phosphine molecule and one In4As3 framework. In the In4As3 framework, there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) In–As bond lengths. In the second In1+ site, In1+ is bonded to four As3- atoms to form corner-sharing InAs4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–As bond lengths. In the third In1+ site, In1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both In–As bond lengths are 2.68 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sun Jan 13 00:00:00 EST 2019

Other Number(s):: mp-1223887

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; In4As3P; As-In-P

OSTI Identifier:: 1674935

DOI:: https://doi.org/10.17188/1674935

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                    The Materials Project. Materials Data on In4As3P by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1674935.

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                    The Materials Project. Materials Data on In4As3P by Materials Project.  United States.  doi:https://doi.org/10.17188/1674935

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                    The Materials Project. 2019.  
"Materials Data on In4As3P by Materials Project".  United States.  doi:https://doi.org/10.17188/1674935.  https://www.osti.gov/servlets/purl/1674935. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1674935,

  title        = {Materials Data on In4As3P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In4As3P crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional and consists of one phosphine molecule and one In4As3 framework. In the In4As3 framework, there are three inequivalent In1+ sites. In the first In1+ site, In1+ is bonded in a trigonal non-coplanar geometry to three As3- atoms. There are two shorter (2.67 Å) and one longer (2.68 Å) In–As bond lengths. In the second In1+ site, In1+ is bonded to four As3- atoms to form corner-sharing InAs4 tetrahedra. There are two shorter (2.66 Å) and two longer (2.67 Å) In–As bond lengths. In the third In1+ site, In1+ is bonded in a water-like geometry to two equivalent As3- atoms. Both In–As bond lengths are 2.68 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four In1+ atoms to form corner-sharing AsIn4 tetrahedra.},

  doi          = {10.17188/1674935},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun Jan 13 00:00:00 EST 2019},

  month        = {Sun Jan 13 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1674935

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