Materials Data on InRe2C10BrO10 by Materials Project

doi:10.17188/1281098

Title: Materials Data on InRe2C10BrO10 by Materials Project

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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.

Authors:: The Materials Project

Publication Date:: Sat Jun 28 00:00:00 EDT 2014

Other Number(s):: mp-651750

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; InRe2C10BrO10; Br-C-In-O-Re

OSTI Identifier:: 1281098

DOI:: https://doi.org/10.17188/1281098

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                    The Materials Project. Materials Data on InRe2C10BrO10 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1281098.

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                    The Materials Project. Materials Data on InRe2C10BrO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281098

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                    The Materials Project. 2014.  
"Materials Data on InRe2C10BrO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281098.  https://www.osti.gov/servlets/purl/1281098. Pub date:Sat Jun 28 00:00:00 EDT 2014

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@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         = {Sat Jun 28 00:00:00 EDT 2014},

  month        = {Sat Jun 28 00:00:00 EDT 2014}

}

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DOI: https://doi.org/10.17188/1281098

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