Materials Data on H9C6N10ClO5 by Materials Project

doi:10.17188/1749241

Title: Materials Data on H9C6N10ClO5 by Materials Project

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Abstract

H7(C3N5)2H2OClO4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two schembl9913211 molecules, two water molecules, and two ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.

Authors:: The Materials Project

Publication Date:: 2019-04-18

Other Number(s):: mp-1195829

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; H9C6N10ClO5; C-Cl-H-N-O

OSTI Identifier:: 1749241

DOI:: https://doi.org/10.17188/1749241

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                    The Materials Project. Materials Data on H9C6N10ClO5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1749241.

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                    The Materials Project. Materials Data on H9C6N10ClO5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749241

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                    The Materials Project. 2019.  
"Materials Data on H9C6N10ClO5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749241.  https://www.osti.gov/servlets/purl/1749241. Pub date:Thu Apr 18 00:00:00 EDT 2019

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@article{osti_1749241,

  title        = {Materials Data on H9C6N10ClO5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {H7(C3N5)2H2OClO4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two schembl9913211 molecules, two water molecules, and two ClO4 clusters. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.},

  doi          = {10.17188/1749241},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1749241

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