Materials Data on K2Au3 by Materials Project

doi:10.17188/1312593

Title: Materials Data on K2Au3 by Materials Project

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Abstract

K2Au3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to ten Au atoms. There are a spread of K–Au bond distances ranging from 3.43–3.99 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded to eight equivalent K and four equivalent Au atoms to form a mixture of distorted face and edge-sharing AuK8Au4 cuboctahedra. All Au–Au bond lengths are 2.86 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to six equivalent K and four Au atoms. There are one shorter (2.75 Å) and one longer (2.85 Å) Au–Au bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8700

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; K2Au3; Au-K

OSTI Identifier:: 1312593

DOI:: https://doi.org/10.17188/1312593

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                    The Materials Project. Materials Data on K2Au3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312593.

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                    The Materials Project. Materials Data on K2Au3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312593

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                    The Materials Project. 2020.  
"Materials Data on K2Au3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312593.  https://www.osti.gov/servlets/purl/1312593. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1312593,

  title        = {Materials Data on K2Au3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2Au3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to ten Au atoms. There are a spread of K–Au bond distances ranging from 3.43–3.99 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded to eight equivalent K and four equivalent Au atoms to form a mixture of distorted face and edge-sharing AuK8Au4 cuboctahedra. All Au–Au bond lengths are 2.86 Å. In the second Au site, Au is bonded in a 10-coordinate geometry to six equivalent K and four Au atoms. There are one shorter (2.75 Å) and one longer (2.85 Å) Au–Au bond lengths.},

  doi          = {10.17188/1312593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1312593

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