Materials Data on RbMnBr3 by Materials Project

doi:10.17188/1204227

Title: Materials Data on RbMnBr3 by Materials Project

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Abstract

RbMnBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent MnBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent MnBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are six shorter (3.82 Å) and six longer (3.99 Å) Rb–Br bond lengths. Mn2+ is bonded to six equivalent Br1- atoms to form MnBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-29763

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; RbMnBr3; Br-Mn-Rb

OSTI Identifier:: 1204227

DOI:: https://doi.org/10.17188/1204227

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                    The Materials Project. Materials Data on RbMnBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204227.

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                    The Materials Project. Materials Data on RbMnBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204227

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                    The Materials Project. 2020.  
"Materials Data on RbMnBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204227.  https://www.osti.gov/servlets/purl/1204227. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1204227,

  title        = {Materials Data on RbMnBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbMnBr3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with six equivalent RbBr12 cuboctahedra, corners with six equivalent MnBr6 octahedra, faces with eight equivalent RbBr12 cuboctahedra, and faces with six equivalent MnBr6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are six shorter (3.82 Å) and six longer (3.99 Å) Rb–Br bond lengths. Mn2+ is bonded to six equivalent Br1- atoms to form MnBr6 octahedra that share corners with six equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with two equivalent MnBr6 octahedra. All Mn–Br bond lengths are 2.70 Å. Br1- is bonded in a 6-coordinate geometry to four equivalent Rb1+ and two equivalent Mn2+ atoms.},

  doi          = {10.17188/1204227},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204227

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