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Title: Materials Data on Os2C6SeO6 by Materials Project

Abstract

Os2C6SeO6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os2C6SeO6 clusters. there are eight inequivalent Os1- sites. In the first Os1- site, Os1- is bonded in a distorted square pyramidal geometry to three C+2.67+ and two Se2- atoms. There is one shorter (1.89 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.60 Å) and one longer (2.61 Å) Os–Se bond lengths. In the second Os1- site, Os1- is bonded in a 4-coordinate geometry to three C+2.67+ and one Se2- atom. There is two shorter (1.89 Å) and one longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the third Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the fourth Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is one shorter (1.88 Å) and two longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the fifthmore » Os1- site, Os1- is bonded in a 5-coordinate geometry to three C+2.67+ and two Se2- atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There are one shorter (2.60 Å) and one longer (2.63 Å) Os–Se bond lengths. In the sixth Os1- site, Os1- is bonded in a distorted square pyramidal geometry to three C+2.67+ and two Se2- atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.59 Å) and one longer (2.61 Å) Os–Se bond lengths. In the seventh Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is two shorter (1.89 Å) and one longer (1.91 Å) Os–C bond length. The Os–Se bond length is 2.54 Å. In the eighth Os1- site, Os1- is bonded in a 5-coordinate geometry to three C+2.67+ and two Se2- atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There are one shorter (2.60 Å) and one longer (2.61 Å) Os–Se bond lengths. There are twenty-four inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fourteenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the sixteenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the seventeenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eighteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the nineteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twentieth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-second C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-third C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-fourth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.17 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Os1- and one O2- atom. The Se–O bond length is 3.45 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ and one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom.« less

Publication Date:
Other Number(s):
mp-651026
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; Os2C6SeO6; C-O-Os-Se
OSTI Identifier:
1281033
DOI:
10.17188/1281033

Citation Formats

The Materials Project. Materials Data on Os2C6SeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281033.
The Materials Project. Materials Data on Os2C6SeO6 by Materials Project. United States. doi:10.17188/1281033.
The Materials Project. 2020. "Materials Data on Os2C6SeO6 by Materials Project". United States. doi:10.17188/1281033. https://www.osti.gov/servlets/purl/1281033. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1281033,
title = {Materials Data on Os2C6SeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Os2C6SeO6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os2C6SeO6 clusters. there are eight inequivalent Os1- sites. In the first Os1- site, Os1- is bonded in a distorted square pyramidal geometry to three C+2.67+ and two Se2- atoms. There is one shorter (1.89 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.60 Å) and one longer (2.61 Å) Os–Se bond lengths. In the second Os1- site, Os1- is bonded in a 4-coordinate geometry to three C+2.67+ and one Se2- atom. There is two shorter (1.89 Å) and one longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the third Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is one shorter (1.89 Å) and two longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the fourth Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is one shorter (1.88 Å) and two longer (1.90 Å) Os–C bond length. The Os–Se bond length is 2.55 Å. In the fifth Os1- site, Os1- is bonded in a 5-coordinate geometry to three C+2.67+ and two Se2- atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There are one shorter (2.60 Å) and one longer (2.63 Å) Os–Se bond lengths. In the sixth Os1- site, Os1- is bonded in a distorted square pyramidal geometry to three C+2.67+ and two Se2- atoms. There is one shorter (1.90 Å) and two longer (1.91 Å) Os–C bond length. There are one shorter (2.59 Å) and one longer (2.61 Å) Os–Se bond lengths. In the seventh Os1- site, Os1- is bonded in a distorted rectangular see-saw-like geometry to three C+2.67+ and one Se2- atom. There is two shorter (1.89 Å) and one longer (1.91 Å) Os–C bond length. The Os–Se bond length is 2.54 Å. In the eighth Os1- site, Os1- is bonded in a 5-coordinate geometry to three C+2.67+ and two Se2- atoms. There are a spread of Os–C bond distances ranging from 1.90–1.92 Å. There are one shorter (2.60 Å) and one longer (2.61 Å) Os–Se bond lengths. There are twenty-four inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fourteenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the fifteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the sixteenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the seventeenth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the eighteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the nineteenth C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twentieth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-first C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-second C+2.67+ site, C+2.67+ is bonded in a distorted linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-third C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.16 Å. In the twenty-fourth C+2.67+ site, C+2.67+ is bonded in a linear geometry to one Os1- and one O2- atom. The C–O bond length is 1.17 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to three Os1- atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Os1- and one O2- atom. The Se–O bond length is 3.45 Å. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ and one Se2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the sixteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the seventeenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the eighteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-second O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-third O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom. In the twenty-fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.67+ atom.},
doi = {10.17188/1281033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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