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Title: Materials Data on Os3C9Se2O9 by Materials Project

Abstract

Os3C9Se2O9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Os3C9Se2O9 sheet oriented in the (0, 1, 0) direction. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. All Os–C bond lengths are 1.91 Å. There are one shorter (2.58 Å) and one longer (2.60 Å) Os–Se bond lengths. In the second Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. There is one shorter (1.89 Å) and two longer (1.92 Å) Os–C bond length. There are one shorter (2.55 Å) and one longer (2.56 Å) Os–Se bond lengths. In the third Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. There is one shorter (1.88 Å) and two longer (1.92 Å) Os–C bond length. There are one shorter (2.55 Å) and one longer (2.57 Å) Os–Se bond lengths. There are nine inequivalent C+3.11+ sites. In the first C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the secondmore » C+3.11+ site, C+3.11+ 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+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the sixth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+3.11+ site, C+3.11+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Os2- and four O2- atoms. There are a spread of Se–O bond distances ranging from 3.40–3.70 Å. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Os2- atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-649754
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; Os3C9Se2O9; C-O-Os-Se
OSTI Identifier:
1280915
DOI:
10.17188/1280915

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Os3C9Se2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280915.
Persson, Kristin, & Project, Materials. Materials Data on Os3C9Se2O9 by Materials Project. United States. doi:10.17188/1280915.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Os3C9Se2O9 by Materials Project". United States. doi:10.17188/1280915. https://www.osti.gov/servlets/purl/1280915. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280915,
title = {Materials Data on Os3C9Se2O9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Os3C9Se2O9 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Os3C9Se2O9 sheet oriented in the (0, 1, 0) direction. there are three inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. All Os–C bond lengths are 1.91 Å. There are one shorter (2.58 Å) and one longer (2.60 Å) Os–Se bond lengths. In the second Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. There is one shorter (1.89 Å) and two longer (1.92 Å) Os–C bond length. There are one shorter (2.55 Å) and one longer (2.56 Å) Os–Se bond lengths. In the third Os2- site, Os2- is bonded in a 5-coordinate geometry to three C+3.11+ and two Se2- atoms. There is one shorter (1.88 Å) and two longer (1.92 Å) Os–C bond length. There are one shorter (2.55 Å) and one longer (2.57 Å) Os–Se bond lengths. There are nine inequivalent C+3.11+ sites. In the first C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+3.11+ site, C+3.11+ 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+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.17 Å. In the sixth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+3.11+ site, C+3.11+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+3.11+ site, C+3.11+ is bonded in a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three Os2- and four O2- atoms. There are a spread of Se–O bond distances ranging from 3.40–3.70 Å. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to three Os2- atoms. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ and one Se2- atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+3.11+ atom.},
doi = {10.17188/1280915},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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