Materials Data on Rb3Nd2(NO3)9 by Materials Project

doi:10.17188/1281527

Title: Materials Data on Rb3Nd2(NO3)9 by Materials Project

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Abstract

Rb3Nd2(NO3)9 crystallizes in the cubic P4_332 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 2.97–3.34 Å. Nd3+ is bonded to twelve O2- atoms to form distorted corner-sharing NdO12 cuboctahedra. There are a spread of Nd–O bond distances ranging from 2.58–2.77 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 (1.24 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 Nd3+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Wed Jan 01 00:00:00 EST 2014

Other Number(s):: mp-667380

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; Rb3Nd2(NO3)9; N-Nd-O-Rb

OSTI Identifier:: 1281527

DOI:: https://doi.org/10.17188/1281527

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                    The Materials Project. Materials Data on Rb3Nd2(NO3)9 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1281527.

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                    The Materials Project. Materials Data on Rb3Nd2(NO3)9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281527

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                    The Materials Project. 2014.  
"Materials Data on Rb3Nd2(NO3)9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281527.  https://www.osti.gov/servlets/purl/1281527. Pub date:Wed Jan 01 00:00:00 EST 2014

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@article{osti_1281527,

  title        = {Materials Data on Rb3Nd2(NO3)9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Nd2(NO3)9 crystallizes in the cubic P4_332 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 2.97–3.34 Å. Nd3+ is bonded to twelve O2- atoms to form distorted corner-sharing NdO12 cuboctahedra. There are a spread of Nd–O bond distances ranging from 2.58–2.77 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 (1.24 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 Nd3+ and one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Rb1+, one Nd3+, and one N5+ atom.},

  doi          = {10.17188/1281527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jan 01 00:00:00 EST 2014},

  month        = {Wed Jan 01 00:00:00 EST 2014}

}

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DOI: https://doi.org/10.17188/1281527

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