Materials Data on CsSmCl3 by Materials Project

doi:10.17188/1274138

Title: Materials Data on CsSmCl3 by Materials Project

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Abstract

CsSmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SmCl6 octahedra. All Cs–Cl bond lengths are 3.89 Å. Sm2+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent SmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.75 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sm2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-567939

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; CsSmCl3; Cl-Cs-Sm

OSTI Identifier:: 1274138

DOI:: https://doi.org/10.17188/1274138

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                    The Materials Project. Materials Data on CsSmCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274138.

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                    The Materials Project. Materials Data on CsSmCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274138

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                    The Materials Project. 2020.  
"Materials Data on CsSmCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274138.  https://www.osti.gov/servlets/purl/1274138. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274138,

  title        = {Materials Data on CsSmCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent SmCl6 octahedra. All Cs–Cl bond lengths are 3.89 Å. Sm2+ is bonded to six equivalent Cl1- atoms to form SmCl6 octahedra that share corners with six equivalent SmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Cl bond lengths are 2.75 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sm2+ atoms.},

  doi          = {10.17188/1274138},

  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/10.17188/1274138

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