Materials Data on RbLiCl2 by Materials Project

doi:10.17188/1202374

Title: Materials Data on RbLiCl2 by Materials Project

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Abstract

RbLiCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are six shorter (3.36 Å) and two longer (3.76 Å) Rb–Cl bond lengths. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.44 Å) Li–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Rb1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Li1+ atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Li2 octahedra. The corner-sharing octahedral tilt angles are 68°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-28243

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; RbLiCl2; Cl-Li-Rb

OSTI Identifier:: 1202374

DOI:: https://doi.org/10.17188/1202374

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                    The Materials Project. Materials Data on RbLiCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202374.

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                    The Materials Project. Materials Data on RbLiCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1202374

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                    The Materials Project. 2020.  
"Materials Data on RbLiCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1202374.  https://www.osti.gov/servlets/purl/1202374. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202374,

  title        = {Materials Data on RbLiCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbLiCl2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are six shorter (3.36 Å) and two longer (3.76 Å) Rb–Cl bond lengths. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.44 Å) Li–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Rb1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Li1+ atoms to form a mixture of distorted corner, edge, and face-sharing ClRb4Li2 octahedra. The corner-sharing octahedral tilt angles are 68°.},

  doi          = {10.17188/1202374},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202374

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