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Title: Materials Data on Mn2SnC10BrO10 by Materials Project

Abstract

(Mn(CO)5)2SnBr crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight bromostannane molecules and sixteen Mn(CO)5 clusters. In four of the Mn(CO)5 clusters, Mn2+ is bonded in a square pyramidal geometry to five C+1.50+ atoms. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2-more » is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In twelve of the Mn(CO)5 clusters, Mn2+ is bonded in a square pyramidal geometry to five C+1.50+ atoms. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-705194
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mn2SnC10BrO10; Br-C-Mn-O-Sn
OSTI Identifier:
1285856
DOI:
https://doi.org/10.17188/1285856

Citation Formats

The Materials Project. Materials Data on Mn2SnC10BrO10 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1285856.
The Materials Project. Materials Data on Mn2SnC10BrO10 by Materials Project. United States. doi:https://doi.org/10.17188/1285856
The Materials Project. 2014. "Materials Data on Mn2SnC10BrO10 by Materials Project". United States. doi:https://doi.org/10.17188/1285856. https://www.osti.gov/servlets/purl/1285856. Pub date:Sat May 17 00:00:00 EDT 2014
@article{osti_1285856,
title = {Materials Data on Mn2SnC10BrO10 by Materials Project},
author = {The Materials Project},
abstractNote = {(Mn(CO)5)2SnBr crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight bromostannane molecules and sixteen Mn(CO)5 clusters. In four of the Mn(CO)5 clusters, Mn2+ is bonded in a square pyramidal geometry to five C+1.50+ atoms. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In twelve of the Mn(CO)5 clusters, Mn2+ is bonded in a square pyramidal geometry to five C+1.50+ atoms. There are a spread of Mn–C bond distances ranging from 1.82–1.87 Å. There are five inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Mn2+ and one O2- atom. The C–O bond length is 1.16 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.50+ atom.},
doi = {10.17188/1285856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {5}
}