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

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:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-762352
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; P(H3C)3; C-H-P
OSTI Identifier:
1292575
DOI:
10.17188/1292575

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on P(H3C)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1292575.
Persson, Kristin, & Project, Materials. Materials Data on P(H3C)3 by Materials Project. United States. doi:10.17188/1292575.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on P(H3C)3 by Materials Project". United States. doi:10.17188/1292575. https://www.osti.gov/servlets/purl/1292575. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1292575,
title = {Materials Data on P(H3C)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
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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