Materials Data on Rb(In3Au2)2 by Materials Project

doi:10.17188/1274281

Title: Materials Data on Rb(In3Au2)2 by Materials Project

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Abstract

Rb(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rb is bonded to six equivalent Au and six equivalent In atoms to form face-sharing RbIn6Au6 cuboctahedra. All Rb–Au bond lengths are 3.74 Å. All Rb–In bond lengths are 3.65 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent Rb and six In atoms. There are two shorter (2.91 Å) and four longer (2.94 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.90 Å) and six longer (3.00 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Rb and four Au atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-568168

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; Rb(In3Au2)2; Au-In-Rb

OSTI Identifier:: 1274281

DOI:: https://doi.org/10.17188/1274281

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                    The Materials Project. Materials Data on Rb(In3Au2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274281.

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                    The Materials Project. Materials Data on Rb(In3Au2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274281

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                    The Materials Project. 2020.  
"Materials Data on Rb(In3Au2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274281.  https://www.osti.gov/servlets/purl/1274281. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1274281,

  title        = {Materials Data on Rb(In3Au2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rb is bonded to six equivalent Au and six equivalent In atoms to form face-sharing RbIn6Au6 cuboctahedra. All Rb–Au bond lengths are 3.74 Å. All Rb–In bond lengths are 3.65 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent Rb and six In atoms. There are two shorter (2.91 Å) and four longer (2.94 Å) Au–In bond lengths. In the second Au site, Au is bonded in a 9-coordinate geometry to nine In atoms. There are three shorter (2.90 Å) and six longer (3.00 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Au atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Rb and four Au atoms.},

  doi          = {10.17188/1274281},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274281

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