Materials Data on CIN2O7 by Materials Project

doi:10.17188/1710369

Title: Materials Data on CIN2O7 by Materials Project

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Abstract

N2COIO6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four formaldehyde molecules, and four IO6 clusters. In each IO6 cluster, there are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.92 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.87 Å. In the fifth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. I5+ is bonded in an octahedral geometry to six O2- atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1203490

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; CIN2O7; C-I-N-O

OSTI Identifier:: 1710369

DOI:: https://doi.org/10.17188/1710369

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                    The Materials Project. Materials Data on CIN2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1710369.

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                    The Materials Project. Materials Data on CIN2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1710369

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                    The Materials Project. 2020.  
"Materials Data on CIN2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1710369.  https://www.osti.gov/servlets/purl/1710369. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1710369,

  title        = {Materials Data on CIN2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {N2COIO6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight ammonia molecules, four formaldehyde molecules, and four IO6 clusters. In each IO6 cluster, there are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.92 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.87 Å. In the fifth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.89 Å. In the sixth O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.91 Å. I5+ is bonded in an octahedral geometry to six O2- atoms.},

  doi          = {10.17188/1710369},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1710369

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