Materials Data on Rb3Tm2Cu4Br13 by Materials Project

doi:10.17188/1278224

Title: Materials Data on Rb3Tm2Cu4Br13 by Materials Project

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Abstract

Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.61 Å) and four longer (3.85 Å) Rb–Br bond lengths. Tm3+ is bonded to six equivalent Br1- atoms to form TmBr6 octahedra that share corners with six equivalent CuBr4 tetrahedra. All Tm–Br bond lengths are 2.78 Å. Cu1+ is bonded to four Br1- atoms to form CuBr4 tetrahedra that share corners with three equivalent TmBr6 octahedra and corners with three equivalent CuBr4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.46 Å) and three longer (2.48 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Tm3+, and one Cu1+ atom. In the second Br1- site, Br1- is bonded in a tetrahedral geometry to four equivalent Cu1+ atoms.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-623862

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; Rb3Tm2Cu4Br13; Br-Cu-Rb-Tm

OSTI Identifier:: 1278224

DOI:: https://doi.org/10.17188/1278224

Citation Formats


                    The Materials Project. Materials Data on Rb3Tm2Cu4Br13 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278224.

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                    The Materials Project. Materials Data on Rb3Tm2Cu4Br13 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278224

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                    The Materials Project. 2020.  
"Materials Data on Rb3Tm2Cu4Br13 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278224.  https://www.osti.gov/servlets/purl/1278224. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1278224,

  title        = {Materials Data on Rb3Tm2Cu4Br13 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Tm2Cu4Br13 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight equivalent Br1- atoms. There are four shorter (3.61 Å) and four longer (3.85 Å) Rb–Br bond lengths. Tm3+ is bonded to six equivalent Br1- atoms to form TmBr6 octahedra that share corners with six equivalent CuBr4 tetrahedra. All Tm–Br bond lengths are 2.78 Å. Cu1+ is bonded to four Br1- atoms to form CuBr4 tetrahedra that share corners with three equivalent TmBr6 octahedra and corners with three equivalent CuBr4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. There are one shorter (2.46 Å) and three longer (2.48 Å) Cu–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Tm3+, and one Cu1+ atom. In the second Br1- site, Br1- is bonded in a tetrahedral geometry to four equivalent Cu1+ atoms.},

  doi          = {10.17188/1278224},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278224

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