Materials Data on Cr2H8N2O7 by Materials Project

doi:10.17188/1685878

Title: Materials Data on Cr2H8N2O7 by Materials Project

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Abstract

(NH4)2Cr2O7 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Cr2O7 clusters. In each Cr2O7 cluster, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1198067

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; Cr2H8N2O7; Cr-H-N-O

OSTI Identifier:: 1685878

DOI:: https://doi.org/10.17188/1685878

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                    The Materials Project. Materials Data on Cr2H8N2O7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685878.

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                    The Materials Project. Materials Data on Cr2H8N2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685878

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                    The Materials Project. 2020.  
"Materials Data on Cr2H8N2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685878.  https://www.osti.gov/servlets/purl/1685878. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1685878,

  title        = {Materials Data on Cr2H8N2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)2Cr2O7 is beta Plutonium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight ammonium molecules and four Cr2O7 clusters. In each Cr2O7 cluster, Cr6+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.79 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cr6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr6+ atom.},

  doi          = {10.17188/1685878},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685878

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