skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Os4C13(SO6)2 by Materials Project

Abstract

Os4C13(SO6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os4C13(SO6)2 clusters. there are four inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 5-coordinate geometry to four C+2.77+ and one S2- atom. There are a spread of Os–C bond distances ranging from 1.90–2.16 Å. The Os–S bond length is 2.49 Å. In the second Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.19 Å. The Os–S bond length is 2.44 Å. In the third Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.23 Å. The Os–S bond length is 2.47 Å. In the fourth Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.23 Å. The Os–S bond length is 2.47 Å. There are thirteen inequivalent C+2.77+ sites. In the first C+2.77+ site, C+2.77+ is bonded inmore » a distorted linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.77+ site, C+2.77+ 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+2.77+ site, C+2.77+ 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+2.77+ site, C+2.77+ 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 fifth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.77+ site, C+2.77+ 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 seventh C+2.77+ site, C+2.77+ 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 eighth C+2.77+ site, C+2.77+ is bonded in a distorted trigonal bipyramidal geometry to four Os2- and one S2- atom. The C–S bond length is 1.75 Å. In the ninth C+2.77+ site, C+2.77+ 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 tenth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Os2- atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Os2- and one C+2.77+ atom. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-662796
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; Os4C13(SO6)2; C-O-Os-S
OSTI Identifier:
1281439
DOI:
10.17188/1281439

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Os4C13(SO6)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281439.
Persson, Kristin, & Project, Materials. Materials Data on Os4C13(SO6)2 by Materials Project. United States. doi:10.17188/1281439.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Os4C13(SO6)2 by Materials Project". United States. doi:10.17188/1281439. https://www.osti.gov/servlets/purl/1281439. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281439,
title = {Materials Data on Os4C13(SO6)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Os4C13(SO6)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os4C13(SO6)2 clusters. there are four inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 5-coordinate geometry to four C+2.77+ and one S2- atom. There are a spread of Os–C bond distances ranging from 1.90–2.16 Å. The Os–S bond length is 2.49 Å. In the second Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.19 Å. The Os–S bond length is 2.44 Å. In the third Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.23 Å. The Os–S bond length is 2.47 Å. In the fourth Os2- site, Os2- is bonded to four C+2.77+ and one S2- atom to form distorted edge-sharing OsC4S trigonal bipyramids. There are a spread of Os–C bond distances ranging from 1.91–2.23 Å. The Os–S bond length is 2.47 Å. There are thirteen inequivalent C+2.77+ sites. In the first C+2.77+ site, C+2.77+ 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+2.77+ site, C+2.77+ 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+2.77+ site, C+2.77+ 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+2.77+ site, C+2.77+ 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 fifth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+2.77+ site, C+2.77+ 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 seventh C+2.77+ site, C+2.77+ 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 eighth C+2.77+ site, C+2.77+ is bonded in a distorted trigonal bipyramidal geometry to four Os2- and one S2- atom. The C–S bond length is 1.75 Å. In the ninth C+2.77+ site, C+2.77+ 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 tenth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the eleventh C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the twelfth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. In the thirteenth C+2.77+ site, C+2.77+ is bonded in a linear geometry to one Os2- and one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three Os2- atoms. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Os2- and one C+2.77+ atom. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one C+2.77+ atom.},
doi = {10.17188/1281439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: