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Title: Materials Data on PtCI2O by Materials Project

Abstract

PtCOI2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PtCOI2 clusters. Pt2+ is bonded in a rectangular see-saw-like geometry to one C2+ and three I1- atoms. The Pt–C bond length is 1.86 Å. There are a spread of Pt–I bond distances ranging from 2.64–2.67 Å. C2+ is bonded in a distorted linear geometry to one Pt2+ and one O2- atom. The C–O bond length is 1.15 Å. O2- is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Pt2+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Pt2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558381
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; PtCI2O; C-I-O-Pt
OSTI Identifier:
1270312
DOI:
10.17188/1270312

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on PtCI2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270312.
Persson, Kristin, & Project, Materials. Materials Data on PtCI2O by Materials Project. United States. doi:10.17188/1270312.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on PtCI2O by Materials Project". United States. doi:10.17188/1270312. https://www.osti.gov/servlets/purl/1270312. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270312,
title = {Materials Data on PtCI2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PtCOI2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PtCOI2 clusters. Pt2+ is bonded in a rectangular see-saw-like geometry to one C2+ and three I1- atoms. The Pt–C bond length is 1.86 Å. There are a spread of Pt–I bond distances ranging from 2.64–2.67 Å. C2+ is bonded in a distorted linear geometry to one Pt2+ and one O2- atom. The C–O bond length is 1.15 Å. O2- is bonded in a single-bond geometry to one C2+ atom. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to one Pt2+ atom. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Pt2+ atoms.},
doi = {10.17188/1270312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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