Materials Data on CsPbCl3 by Materials Project

doi:10.17188/1282556

Title: Materials Data on CsPbCl3 by Materials Project

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Abstract

CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are three shorter (3.77 Å) and six longer (4.08 Å) Cs–Cl bond lengths. Pb2+ is bonded to six equivalent Cl1- atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pb–Cl bond lengths are 2.88 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-675022

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; CsPbCl3; Cl-Cs-Pb

OSTI Identifier:: 1282556

DOI:: https://doi.org/10.17188/1282556

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                    The Materials Project. Materials Data on CsPbCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282556.

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                    The Materials Project. Materials Data on CsPbCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282556

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                    The Materials Project. 2020.  
"Materials Data on CsPbCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282556.  https://www.osti.gov/servlets/purl/1282556. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1282556,

  title        = {Materials Data on CsPbCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsPbCl3 is (Cubic) Perovskite structured and crystallizes in the trigonal R32 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine equivalent Cl1- atoms. There are three shorter (3.77 Å) and six longer (4.08 Å) Cs–Cl bond lengths. Pb2+ is bonded to six equivalent Cl1- atoms to form corner-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Pb–Cl bond lengths are 2.88 Å. Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.},

  doi          = {10.17188/1282556},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1282556

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