Materials Data on Rb3Ce2(NO3)9 by Materials Project

doi:10.17188/1281512

Title: Materials Data on Rb3Ce2(NO3)9 by Materials Project

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Abstract

Rb3Ce2(NO3)9 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.35 Å. Ce3+ is bonded to twelve O2- atoms to form distorted corner-sharing CeO12 cuboctahedra. There are a spread of Ce–O bond distances ranging from 2.59–2.78 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: Wed Feb 11 00:00:00 EST 2015

Other Number(s):: mp-667353

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; Rb3Ce2(NO3)9; Ce-N-O-Rb

OSTI Identifier:: 1281512

DOI:: https://doi.org/10.17188/1281512

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                    The Materials Project. Materials Data on Rb3Ce2(NO3)9 by Materials Project.  United States: N. p., 2015. 
        Web.  doi:10.17188/1281512.

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                    The Materials Project. Materials Data on Rb3Ce2(NO3)9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281512

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                    The Materials Project. 2015.  
"Materials Data on Rb3Ce2(NO3)9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281512.  https://www.osti.gov/servlets/purl/1281512. Pub date:Wed Feb 11 00:00:00 EST 2015

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@article{osti_1281512,

  title        = {Materials Data on Rb3Ce2(NO3)9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Ce2(NO3)9 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.98–3.35 Å. Ce3+ is bonded to twelve O2- atoms to form distorted corner-sharing CeO12 cuboctahedra. There are a spread of Ce–O bond distances ranging from 2.59–2.78 Å. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.26 Å) and one longer (1.29 Å) N–O bond length. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.28 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ce3+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Ce3+, and one N5+ atom.},

  doi          = {10.17188/1281512},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Feb 11 00:00:00 EST 2015},

  month        = {Wed Feb 11 00:00:00 EST 2015}

}

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DOI: https://doi.org/10.17188/1281512

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