Materials Data on CsPbBr3 by Materials Project

doi:10.17188/1273967

Title: Materials Data on CsPbBr3 by Materials Project

Abstract

CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.74–4.23 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. All Pb–Br bond lengths are 3.03 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed May 10 00:00:00 EDT 2017

Other Number(s):: mp-567629

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; CsPbBr3; Br-Cs-Pb

OSTI Identifier:: 1273967

DOI:: https://doi.org/10.17188/1273967

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                    The Materials Project. Materials Data on CsPbBr3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1273967.

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                    The Materials Project. Materials Data on CsPbBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273967

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                    The Materials Project. 2017.  
"Materials Data on CsPbBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273967.  https://www.osti.gov/servlets/purl/1273967. Pub date:Wed May 10 00:00:00 EDT 2017

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@article{osti_1273967,

  title        = {Materials Data on CsPbBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.74–4.23 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. All Pb–Br bond lengths are 3.03 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.},

  doi          = {10.17188/1273967},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed May 10 00:00:00 EDT 2017},

  month        = {Wed May 10 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1273967

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Works referencing / citing this record:

Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
journal, January 2019

Palazon, Francisco; El Ajjouri, Yousra; Sebastia-Luna, Paz
Journal of Materials Chemistry C, Vol. 7, Issue 37
https://doi.org/10.1039/c9tc03778k

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Title: Materials Data on CsPbBr3 by Materials Project

Abstract

Citation Formats

Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence journal, January 2019

Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
journal, January 2019