Materials Data on Re2PCl by Materials Project

doi:10.17188/1279135

Title: Materials Data on Re2PCl by Materials Project

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Abstract

Re2PCl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 4-coordinate geometry to four equivalent Re, four equivalent P, and six equivalent Cl atoms. All Re–Re bond lengths are 2.71 Å. All Re–P bond lengths are 2.71 Å. All Re–Cl bond lengths are 3.12 Å. In the second Re site, Re is bonded to four equivalent Re and four equivalent Cl atoms to form distorted edge-sharing ReRe4Cl4 tetrahedra. All Re–Cl bond lengths are 2.71 Å. P is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Cl atoms. All P–Cl bond lengths are 2.71 Å. Cl is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent P atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-631413

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; Re2PCl; Cl-P-Re

OSTI Identifier:: 1279135

DOI:: https://doi.org/10.17188/1279135

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                    The Materials Project. Materials Data on Re2PCl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279135.

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                    The Materials Project. Materials Data on Re2PCl by Materials Project.  United States.  doi:https://doi.org/10.17188/1279135

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                    The Materials Project. 2020.  
"Materials Data on Re2PCl by Materials Project".  United States.  doi:https://doi.org/10.17188/1279135.  https://www.osti.gov/servlets/purl/1279135. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1279135,

  title        = {Materials Data on Re2PCl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re2PCl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded in a 4-coordinate geometry to four equivalent Re, four equivalent P, and six equivalent Cl atoms. All Re–Re bond lengths are 2.71 Å. All Re–P bond lengths are 2.71 Å. All Re–Cl bond lengths are 3.12 Å. In the second Re site, Re is bonded to four equivalent Re and four equivalent Cl atoms to form distorted edge-sharing ReRe4Cl4 tetrahedra. All Re–Cl bond lengths are 2.71 Å. P is bonded in a distorted body-centered cubic geometry to four equivalent Re and four equivalent Cl atoms. All P–Cl bond lengths are 2.71 Å. Cl is bonded in a distorted body-centered cubic geometry to ten Re and four equivalent P atoms.},

  doi          = {10.17188/1279135},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279135

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