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Title: Materials Data on PH9PtC3Cl2 by Materials Project

Abstract

PtC3PH9Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtC3PH9Cl2 clusters. Pt2- is bonded in a rectangular see-saw-like geometry to one P5+ and three Cl1- atoms. The Pt–P bond length is 2.22 Å. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. There are three inequivalent C+3.33- sites. In the first C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.81 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the second C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.81 Å. All C–H bond lengths are 1.10 Å. In the third C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.82 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. P5+ is bonded in a distorted tetrahedral geometry to one Pt2- and three C+3.33- atoms. There are nine inequivalent H1+ sites. In themore » first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pt2- atoms.« less

Publication Date:
Other Number(s):
mp-1200217
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; PH9PtC3Cl2; C-Cl-H-P-Pt
OSTI Identifier:
1747162
DOI:
https://doi.org/10.17188/1747162

Citation Formats

The Materials Project. Materials Data on PH9PtC3Cl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1747162.
The Materials Project. Materials Data on PH9PtC3Cl2 by Materials Project. United States. doi:https://doi.org/10.17188/1747162
The Materials Project. 2020. "Materials Data on PH9PtC3Cl2 by Materials Project". United States. doi:https://doi.org/10.17188/1747162. https://www.osti.gov/servlets/purl/1747162. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1747162,
title = {Materials Data on PH9PtC3Cl2 by Materials Project},
author = {The Materials Project},
abstractNote = {PtC3PH9Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two PtC3PH9Cl2 clusters. Pt2- is bonded in a rectangular see-saw-like geometry to one P5+ and three Cl1- atoms. The Pt–P bond length is 2.22 Å. There are a spread of Pt–Cl bond distances ranging from 2.31–2.46 Å. There are three inequivalent C+3.33- sites. In the first C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.81 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the second C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.81 Å. All C–H bond lengths are 1.10 Å. In the third C+3.33- site, C+3.33- is bonded to one P5+ and three H1+ atoms to form distorted corner-sharing CPH3 tetrahedra. The C–P bond length is 1.82 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. P5+ is bonded in a distorted tetrahedral geometry to one Pt2- and three C+3.33- atoms. There are nine inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+3.33- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2- atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pt2- atoms.},
doi = {10.17188/1747162},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}