Materials Data on CeP2(NO4)2 by Materials Project

doi:10.17188/1686531

Title: Materials Data on CeP2(NO4)2 by Materials Project

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Abstract

Ce(PO4)2N2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ce(PO4)2 framework. In the Ce(PO4)2 framework, Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.57 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ andmore » one P5+ atom.« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1192958

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; CeP2(NO4)2; Ce-N-O-P

OSTI Identifier:: 1686531

DOI:: https://doi.org/10.17188/1686531

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                    The Materials Project. Materials Data on CeP2(NO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686531.

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                    The Materials Project. Materials Data on CeP2(NO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686531

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                    The Materials Project. 2020.  
"Materials Data on CeP2(NO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686531.  https://www.osti.gov/servlets/purl/1686531. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686531,

  title        = {Materials Data on CeP2(NO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ce(PO4)2N2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional and consists of eight ammonia molecules and one Ce(PO4)2 framework. In the Ce(PO4)2 framework, Ce4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.23–2.57 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.53 Å) and two longer (1.56 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Ce4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ce4+ and one P5+ atom.},

  doi          = {10.17188/1686531},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1686531

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