Materials Data on Rb3SmF6 by Materials Project

doi:10.17188/1726857

Title: Materials Data on Rb3SmF6 by Materials Project

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Abstract

Rb3SmF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent SmF6 octahedra. All Rb–F bond lengths are 3.49 Å. In the second Rb1+ site, Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent SmF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.68 Å. Sm3+ is bonded to six equivalent F1- atoms to form SmF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–F bond lengths are 2.25 Å. F1- is bonded in a distorted linear geometry to five Rb1+ and one Sm3+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1205612

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; Rb3SmF6; F-Rb-Sm

OSTI Identifier:: 1726857

DOI:: https://doi.org/10.17188/1726857

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                    The Materials Project. Materials Data on Rb3SmF6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1726857.

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                    The Materials Project. Materials Data on Rb3SmF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1726857

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                    The Materials Project. 2019.  
"Materials Data on Rb3SmF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1726857.  https://www.osti.gov/servlets/purl/1726857. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1726857,

  title        = {Materials Data on Rb3SmF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3SmF6 is (Cubic) Perovskite-like structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve equivalent F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent RbF6 octahedra, and faces with four equivalent SmF6 octahedra. All Rb–F bond lengths are 3.49 Å. In the second Rb1+ site, Rb1+ is bonded to six equivalent F1- atoms to form RbF6 octahedra that share corners with six equivalent SmF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–F bond lengths are 2.68 Å. Sm3+ is bonded to six equivalent F1- atoms to form SmF6 octahedra that share corners with six equivalent RbF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–F bond lengths are 2.25 Å. F1- is bonded in a distorted linear geometry to five Rb1+ and one Sm3+ atom.},

  doi          = {10.17188/1726857},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1726857

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