Materials Data on Rb2LiHoCl6 by Materials Project

doi:10.17188/1653056

Title: Materials Data on Rb2LiHoCl6 by Materials Project

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Abstract

Rb2LiHoCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent HoCl6 octahedra. All Rb–Cl bond lengths are 3.69 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent HoCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.59 Å. Ho3+ is bonded to six equivalent Cl1- atoms to form HoCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Ho3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1205883

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; Rb2LiHoCl6; Cl-Ho-Li-Rb

OSTI Identifier:: 1653056

DOI:: https://doi.org/10.17188/1653056

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                    The Materials Project. Materials Data on Rb2LiHoCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1653056.

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                    The Materials Project. Materials Data on Rb2LiHoCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653056

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                    The Materials Project. 2020.  
"Materials Data on Rb2LiHoCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653056.  https://www.osti.gov/servlets/purl/1653056. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1653056,

  title        = {Materials Data on Rb2LiHoCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2LiHoCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent LiCl6 octahedra, and faces with four equivalent HoCl6 octahedra. All Rb–Cl bond lengths are 3.69 Å. Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent HoCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.59 Å. Ho3+ is bonded to six equivalent Cl1- atoms to form HoCl6 octahedra that share corners with six equivalent LiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Li1+, and one Ho3+ atom.},

  doi          = {10.17188/1653056},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1653056

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