Materials Data on RbNd2I5 by Materials Project

doi:10.17188/1275653

Title: Materials Data on RbNd2I5 by Materials Project

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Abstract

RbNd2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.65–4.27 Å. There are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Nd–I bond distances ranging from 3.25–3.63 Å. In the second Nd2+ site, Nd2+ is bonded to seven I1- atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are a spread of Nd–I bond distances ranging from 3.22–3.43 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Nd2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Nd2+ atoms to form distorted corner-sharing IRb2Nd3 trigonal bipyramids. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalentmore » Rb1+ and two equivalent Nd2+ atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-570360

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; RbNd2I5; I-Nd-Rb

OSTI Identifier:: 1275653

DOI:: https://doi.org/10.17188/1275653

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                    The Materials Project. Materials Data on RbNd2I5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275653.

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                    The Materials Project. Materials Data on RbNd2I5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275653

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                    The Materials Project. 2020.  
"Materials Data on RbNd2I5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275653.  https://www.osti.gov/servlets/purl/1275653. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1275653,

  title        = {Materials Data on RbNd2I5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbNd2I5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.65–4.27 Å. There are two inequivalent Nd2+ sites. In the first Nd2+ site, Nd2+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Nd–I bond distances ranging from 3.25–3.63 Å. In the second Nd2+ site, Nd2+ is bonded to seven I1- atoms to form distorted edge-sharing NdI7 pentagonal bipyramids. There are a spread of Nd–I bond distances ranging from 3.22–3.43 Å. There are five inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the second I1- site, I1- is bonded in a 4-coordinate geometry to four Nd2+ atoms. In the third I1- site, I1- is bonded to two equivalent Rb1+ and three Nd2+ atoms to form distorted corner-sharing IRb2Nd3 trigonal bipyramids. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Nd2+ atoms. In the fifth I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent Rb1+ and two equivalent Nd2+ atoms.},

  doi          = {10.17188/1275653},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1275653

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