Materials Data on CsCdBr3 by Materials Project

doi:10.17188/1266304

Title: Materials Data on CsCdBr3 by Materials Project

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Abstract

CsCdBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent CdBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent CdBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are six shorter (3.94 Å) and six longer (4.16 Å) Cs–Br bond lengths. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent CdBr6 octahedra. All Cd–Br bond lengths are 2.82 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-541899

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; CsCdBr3; Br-Cd-Cs

OSTI Identifier:: 1266304

DOI:: https://doi.org/10.17188/1266304

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                    The Materials Project. Materials Data on CsCdBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266304.

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                    The Materials Project. Materials Data on CsCdBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266304

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                    The Materials Project. 2020.  
"Materials Data on CsCdBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266304.  https://www.osti.gov/servlets/purl/1266304. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1266304,

  title        = {Materials Data on CsCdBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsCdBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with six equivalent CsBr12 cuboctahedra, corners with six equivalent CdBr6 octahedra, faces with eight equivalent CsBr12 cuboctahedra, and faces with six equivalent CdBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are six shorter (3.94 Å) and six longer (4.16 Å) Cs–Br bond lengths. Cd2+ is bonded to six equivalent Br1- atoms to form CdBr6 octahedra that share corners with six equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with two equivalent CdBr6 octahedra. All Cd–Br bond lengths are 2.82 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.},

  doi          = {10.17188/1266304},

  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/10.17188/1266304

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