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Title: Materials Data on Os2Pt(CO)9 by Materials Project

Abstract

(Os(CO)4)2PtCO crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen Os(CO)4 clusters and eight PtCO clusters. In four of the Os(CO)4 clusters, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.22+ atoms. There are a spread of Os–C bond distances ranging from 1.91–1.97 Å. There are four inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry tomore » one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In twelve of the Os(CO)4 clusters, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.22+ atoms. There are a spread of Os–C bond distances ranging from 1.92–1.97 Å. There are four inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In each PtCO cluster, Pt2+ is bonded in a distorted single-bond geometry to one C+2.22+ atom. The Pt–C bond length is 1.85 Å. C+2.22+ is bonded in a distorted linear geometry to one Pt2+ and one O2- atom. The C–O bond length is 1.16 Å. O2- is bonded in a single-bond geometry to one C+2.22+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-650695
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; Os2Pt(CO)9; C-O-Os-Pt
OSTI Identifier:
1280993
DOI:
10.17188/1280993

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Os2Pt(CO)9 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1280993.
Persson, Kristin, & Project, Materials. Materials Data on Os2Pt(CO)9 by Materials Project. United States. doi:10.17188/1280993.
Persson, Kristin, and Project, Materials. 2014. "Materials Data on Os2Pt(CO)9 by Materials Project". United States. doi:10.17188/1280993. https://www.osti.gov/servlets/purl/1280993. Pub date:Sat Mar 22 00:00:00 EDT 2014
@article{osti_1280993,
title = {Materials Data on Os2Pt(CO)9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(Os(CO)4)2PtCO crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of sixteen Os(CO)4 clusters and eight PtCO clusters. In four of the Os(CO)4 clusters, Os2- is bonded in a distorted rectangular see-saw-like geometry to four C+2.22+ atoms. There are a spread of Os–C bond distances ranging from 1.91–1.97 Å. There are four inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In twelve of the Os(CO)4 clusters, Os2- is bonded in a rectangular see-saw-like geometry to four C+2.22+ atoms. There are a spread of Os–C bond distances ranging from 1.92–1.97 Å. There are four inequivalent C+2.22+ sites. In the first C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.22+ site, C+2.22+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.22+ site, C+2.22+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.22+ atom. In each PtCO cluster, Pt2+ is bonded in a distorted single-bond geometry to one C+2.22+ atom. The Pt–C bond length is 1.85 Å. C+2.22+ is bonded in a distorted linear geometry to one Pt2+ and one O2- atom. The C–O bond length is 1.16 Å. O2- is bonded in a single-bond geometry to one C+2.22+ atom.},
doi = {10.17188/1280993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {3}
}

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