Materials Data on P(H3C)3 by Materials Project

doi:10.17188/1292575

Title: Materials Data on P(H3C)3 by Materials Project

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Abstract

P(CH3)3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight trimethylphosphine molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.86 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.85 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are five inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom.

Authors:: The Materials Project

Publication Date:: 2020-05-29

Other Number(s):: mp-762352

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; P(H3C)3; C-H-P

OSTI Identifier:: 1292575

DOI:: https://doi.org/10.17188/1292575

Citation Formats


                    The Materials Project. Materials Data on P(H3C)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1292575.

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                    The Materials Project. Materials Data on P(H3C)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1292575

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                    The Materials Project. 2020.  
"Materials Data on P(H3C)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1292575.  https://www.osti.gov/servlets/purl/1292575. Pub date:Fri May 29 00:00:00 EDT 2020

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@article{osti_1292575,

  title        = {Materials Data on P(H3C)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {P(CH3)3 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight trimethylphosphine molecules. there are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.86 Å. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one P5+ and three H+0.78+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.85 Å. All C–H bond lengths are 1.10 Å. P5+ is bonded in a distorted trigonal non-coplanar geometry to three C4- atoms. There are five inequivalent H+0.78+ sites. In the first H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the second H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the third H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fourth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom. In the fifth H+0.78+ site, H+0.78+ is bonded in a single-bond geometry to one C4- atom.},

  doi          = {10.17188/1292575},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1292575

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