Materials Data on InP2Pb by Materials Project

doi:10.17188/1279060

Title: Materials Data on InP2Pb by Materials Project

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Abstract

InPbP2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. In3+ is bonded to four equivalent Pb2+ and four equivalent P+2.50- atoms to form distorted InP4Pb4 tetrahedra that share corners with four equivalent PPb4 tetrahedra, edges with six equivalent PPb4 tetrahedra, and edges with twelve equivalent InP4Pb4 tetrahedra. All In–Pb bond lengths are 3.07 Å. All In–P bond lengths are 3.07 Å. Pb2+ is bonded in a distorted body-centered cubic geometry to four equivalent In3+ and four equivalent P+2.50- atoms. All Pb–P bond lengths are 3.07 Å. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded to four equivalent Pb2+ atoms to form PPb4 tetrahedra that share corners with four equivalent InP4Pb4 tetrahedra, corners with twelve equivalent PPb4 tetrahedra, and edges with six equivalent InP4Pb4 tetrahedra. In the second P+2.50- site, P+2.50- is bonded to four equivalent In3+ atoms to form corner-sharing PIn4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-631312

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; InP2Pb; In-P-Pb

OSTI Identifier:: 1279060

DOI:: https://doi.org/10.17188/1279060

Citation Formats


                    The Materials Project. Materials Data on InP2Pb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279060.

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                    The Materials Project. Materials Data on InP2Pb by Materials Project.  United States.  doi:https://doi.org/10.17188/1279060

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                    The Materials Project. 2020.  
"Materials Data on InP2Pb by Materials Project".  United States.  doi:https://doi.org/10.17188/1279060.  https://www.osti.gov/servlets/purl/1279060. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1279060,

  title        = {Materials Data on InP2Pb by Materials Project},

  author       = {The Materials Project},

  abstractNote = {InPbP2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. In3+ is bonded to four equivalent Pb2+ and four equivalent P+2.50- atoms to form distorted InP4Pb4 tetrahedra that share corners with four equivalent PPb4 tetrahedra, edges with six equivalent PPb4 tetrahedra, and edges with twelve equivalent InP4Pb4 tetrahedra. All In–Pb bond lengths are 3.07 Å. All In–P bond lengths are 3.07 Å. Pb2+ is bonded in a distorted body-centered cubic geometry to four equivalent In3+ and four equivalent P+2.50- atoms. All Pb–P bond lengths are 3.07 Å. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded to four equivalent Pb2+ atoms to form PPb4 tetrahedra that share corners with four equivalent InP4Pb4 tetrahedra, corners with twelve equivalent PPb4 tetrahedra, and edges with six equivalent InP4Pb4 tetrahedra. In the second P+2.50- site, P+2.50- is bonded to four equivalent In3+ atoms to form corner-sharing PIn4 tetrahedra.},

  doi          = {10.17188/1279060},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279060

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