Materials Data on Rb2NaBiCl6 by Materials Project

doi:10.17188/1316819

Title: Materials Data on Rb2NaBiCl6 by Materials Project

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Abstract

Rb2NaBiCl6 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 NaCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All Rb–Cl bond lengths are 3.87 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.71 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Bi3+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-989520

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; Rb2NaBiCl6; Bi-Cl-Na-Rb

OSTI Identifier:: 1316819

DOI:: https://doi.org/10.17188/1316819

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                    The Materials Project. Materials Data on Rb2NaBiCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316819.

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                    The Materials Project. Materials Data on Rb2NaBiCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316819

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                    The Materials Project. 2020.  
"Materials Data on Rb2NaBiCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316819.  https://www.osti.gov/servlets/purl/1316819. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316819,

  title        = {Materials Data on Rb2NaBiCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2NaBiCl6 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 NaCl6 octahedra, and faces with four equivalent BiCl6 octahedra. All Rb–Cl bond lengths are 3.87 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent BiCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.71 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one Bi3+ atom.},

  doi          = {10.17188/1316819},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316819

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