Materials Data on RbTmI3 by Materials Project

doi:10.17188/1727244

Title: Materials Data on RbTmI3 by Materials Project

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Abstract

RbTmI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Rb–I bond distances ranging from 3.78–4.03 Å. Tm is bonded to six I atoms to form edge-sharing TmI6 octahedra. There are a spread of Tm–I bond distances ranging from 3.09–3.13 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to two equivalent Rb and three equivalent Tm atoms. In the second I site, I is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Tm atoms. In the third I site, I is bonded in a 1-coordinate geometry to four equivalent Rb and one Tm atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1209166

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; RbTmI3; I-Rb-Tm

OSTI Identifier:: 1727244

DOI:: https://doi.org/10.17188/1727244

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                    The Materials Project. Materials Data on RbTmI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727244.

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                    The Materials Project. Materials Data on RbTmI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727244

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                    The Materials Project. 2020.  
"Materials Data on RbTmI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727244.  https://www.osti.gov/servlets/purl/1727244. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1727244,

  title        = {Materials Data on RbTmI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbTmI3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 9-coordinate geometry to nine I atoms. There are a spread of Rb–I bond distances ranging from 3.78–4.03 Å. Tm is bonded to six I atoms to form edge-sharing TmI6 octahedra. There are a spread of Tm–I bond distances ranging from 3.09–3.13 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to two equivalent Rb and three equivalent Tm atoms. In the second I site, I is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Tm atoms. In the third I site, I is bonded in a 1-coordinate geometry to four equivalent Rb and one Tm atom.},

  doi          = {10.17188/1727244},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1727244

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