Materials Data on RbSrCl3 by Materials Project

doi:10.17188/1317273

Title: Materials Data on RbSrCl3 by Materials Project

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Abstract

RbSrCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.92–4.14 Å. Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are five shorter (2.85 Å) and one longer (2.86 Å) Sr–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-998155

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; RbSrCl3; Cl-Rb-Sr

OSTI Identifier:: 1317273

DOI:: https://doi.org/10.17188/1317273

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                    The Materials Project. Materials Data on RbSrCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317273.

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                    The Materials Project. Materials Data on RbSrCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317273

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                    The Materials Project. 2020.  
"Materials Data on RbSrCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317273.  https://www.osti.gov/servlets/purl/1317273. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317273,

  title        = {Materials Data on RbSrCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbSrCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.92–4.14 Å. Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–4°. There are five shorter (2.85 Å) and one longer (2.86 Å) Sr–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms. In the third Cl1- site, Cl1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Sr2+ atoms.},

  doi          = {10.17188/1317273},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317273

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