Materials Data on CrPO10 by Materials Project

doi:10.17188/1758004

Title: Materials Data on CrPO10 by Materials Project

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Abstract

CrO6CrO4(PO4)2O2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four cq4 molecules, four oxygen molecules, eight phosphoric acid molecules, and four CrO6 clusters. In each CrO6 cluster, Cr is bonded in an octahedral geometry to six O atoms. There is four shorter (1.81 Å) and two longer (1.83 Å) Cr–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a single-bond geometry to one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1201137

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; CrPO10; Cr-O-P

OSTI Identifier:: 1758004

DOI:: https://doi.org/10.17188/1758004

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                    The Materials Project. Materials Data on CrPO10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758004.

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                    The Materials Project. Materials Data on CrPO10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758004

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                    The Materials Project. 2020.  
"Materials Data on CrPO10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758004.  https://www.osti.gov/servlets/purl/1758004. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758004,

  title        = {Materials Data on CrPO10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrO6CrO4(PO4)2O2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four cq4 molecules, four oxygen molecules, eight phosphoric acid molecules, and four CrO6 clusters. In each CrO6 cluster, Cr is bonded in an octahedral geometry to six O atoms. There is four shorter (1.81 Å) and two longer (1.83 Å) Cr–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cr atom. In the second O site, O is bonded in a single-bond geometry to one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Cr atom.},

  doi          = {10.17188/1758004},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1758004

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