Materials Data on PuCoH24C4N6O13 by Materials Project

doi:10.17188/1288343

Title: Materials Data on PuCoH24C4N6O13 by Materials Project

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Abstract

PuO2Co(NH3)2(NH3)3(CO2)3H2CO3NH7O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six ammonia molecules, two ammonia dihydrate molecules, six formic acid molecules, two monohydrate methylene glycol molecules, two plutonium;dihydrate molecules, and two Co(NH3)2 clusters. In each Co(NH3)2 cluster, Co1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to one Co1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 0.83–1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.

Authors:: The Materials Project

Publication Date:: 2019-09-05

Other Number(s):: mp-744896

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; PuCoH24C4N6O13; C-Co-H-N-O-Pu

OSTI Identifier:: 1288343

DOI:: https://doi.org/10.17188/1288343

Citation Formats


                    The Materials Project. Materials Data on PuCoH24C4N6O13 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1288343.

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                    The Materials Project. Materials Data on PuCoH24C4N6O13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288343

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                    The Materials Project. 2019.  
"Materials Data on PuCoH24C4N6O13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288343.  https://www.osti.gov/servlets/purl/1288343. Pub date:Thu Sep 05 00:00:00 EDT 2019

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@article{osti_1288343,

  title        = {Materials Data on PuCoH24C4N6O13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuO2Co(NH3)2(NH3)3(CO2)3H2CO3NH7O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six ammonia molecules, two ammonia dihydrate molecules, six formic acid molecules, two monohydrate methylene glycol molecules, two plutonium;dihydrate molecules, and two Co(NH3)2 clusters. In each Co(NH3)2 cluster, Co1+ is bonded in a distorted linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.73 Å. N3- is bonded in a 1-coordinate geometry to one Co1+ and three H1+ atoms. There are a spread of N–H bond distances ranging from 0.83–1.45 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.},

  doi          = {10.17188/1288343},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1288343

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