Materials Data on K(In3Au2)2 by Materials Project

doi:10.17188/1273925

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

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Abstract

K(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent Au and six equivalent In atoms to form face-sharing KIn6Au6 cuboctahedra. All K–Au bond lengths are 3.70 Å. All K–In bond lengths are 3.61 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent K and six In atoms. There are two shorter (2.88 Å) and four longer (2.93 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 (2.89 Å) and six longer (2.99 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 K and four Au atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-567545

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Au-In-K; K(In3Au2)2; crystal structure

OSTI Identifier:: 1273925

DOI:: https://doi.org/10.17188/1273925

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                    Materials Data on K(In3Au2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273925.

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                    Materials Data on K(In3Au2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273925

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                    2020.  
"Materials Data on K(In3Au2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273925.  https://www.osti.gov/servlets/purl/1273925. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1273925,

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

  
  abstractNote = {K(Au2In3)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. K is bonded to six equivalent Au and six equivalent In atoms to form face-sharing KIn6Au6 cuboctahedra. All K–Au bond lengths are 3.70 Å. All K–In bond lengths are 3.61 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 6-coordinate geometry to two equivalent K and six In atoms. There are two shorter (2.88 Å) and four longer (2.93 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 (2.89 Å) and six longer (2.99 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 K and four Au atoms.},

  doi          = {10.17188/1273925},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273925

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