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Title: Materials Data on InRe2C10BrO10 by Materials Project

Abstract

(Re)2InBr(CO)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty formaldehyde molecules, sixteen rhenium molecules, and four InBr clusters. In each InBr cluster, there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an L-shaped geometry to two Br1- atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) In–Br bond lengths. In the second In3+ site, In3+ is bonded in an L-shaped geometry to two Br1- atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) In–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two In3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two In3+ atoms.

Publication Date:
Other Number(s):
mp-651750
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; InRe2C10BrO10; Br-C-In-O-Re
OSTI Identifier:
1281098
DOI:
10.17188/1281098

Citation Formats

The Materials Project. Materials Data on InRe2C10BrO10 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1281098.
The Materials Project. Materials Data on InRe2C10BrO10 by Materials Project. United States. doi:10.17188/1281098.
The Materials Project. 2014. "Materials Data on InRe2C10BrO10 by Materials Project". United States. doi:10.17188/1281098. https://www.osti.gov/servlets/purl/1281098. Pub date:Sat Jun 28 00:00:00 EDT 2014
@article{osti_1281098,
title = {Materials Data on InRe2C10BrO10 by Materials Project},
author = {The Materials Project},
abstractNote = {(Re)2InBr(CO)10 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eighty formaldehyde molecules, sixteen rhenium molecules, and four InBr clusters. In each InBr cluster, there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in an L-shaped geometry to two Br1- atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) In–Br bond lengths. In the second In3+ site, In3+ is bonded in an L-shaped geometry to two Br1- atoms. There are one shorter (2.78 Å) and one longer (2.79 Å) In–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two In3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two In3+ atoms.},
doi = {10.17188/1281098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {6}
}

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