Materials Data on CsTmCl3 by Materials Project

doi:10.17188/1276733

Title: Materials Data on CsTmCl3 by Materials Project

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Abstract

CsTmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Cl atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent TmCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Tm is bonded to six equivalent Cl atoms to form TmCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.66 Å. Cl is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tm atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-579768

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; CsTmCl3; Cl-Cs-Tm

OSTI Identifier:: 1276733

DOI:: https://doi.org/10.17188/1276733

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                    The Materials Project. Materials Data on CsTmCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276733.

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                    The Materials Project. Materials Data on CsTmCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276733

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                    The Materials Project. 2020.  
"Materials Data on CsTmCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276733.  https://www.osti.gov/servlets/purl/1276733. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276733,

  title        = {Materials Data on CsTmCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsTmCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent Cl atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent TmCl6 octahedra. All Cs–Cl bond lengths are 3.76 Å. Tm is bonded to six equivalent Cl atoms to form TmCl6 octahedra that share corners with six equivalent TmCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–Cl bond lengths are 2.66 Å. Cl is bonded in a distorted linear geometry to four equivalent Cs and two equivalent Tm atoms.},

  doi          = {10.17188/1276733},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276733

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