Materials Data on K3PbAu5 by Materials Project

doi:10.17188/1205686

Title: Materials Data on K3PbAu5 by Materials Project

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Abstract

K3Au5Pb crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. There are two shorter (3.60 Å) and four longer (3.66 Å) K–Au bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to ten Au1- atoms. There are a spread of K–Au bond distances ranging from 3.41–3.76 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 10-coordinate geometry to six K1+, three Au1-, and one Pb2+ atom. There are two shorter (2.82 Å) and one longer (2.90 Å) Au–Au bond lengths. The Au–Pb bond length is 2.77 Å. In the second Au1- site, Au1- is bonded to six equivalent K1+ and six Au1- atoms to form a mixture of face and edge-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 2.91 Å. In the third Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent K1+ and six Au1- atoms. Both Au–Au bond lengths are 2.89 Å. Pb2+ is bonded in a distorted water-like geometry to two equivalent Au1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-31471

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; K3PbAu5; Au-K-Pb

OSTI Identifier:: 1205686

DOI:: https://doi.org/10.17188/1205686

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                    The Materials Project. Materials Data on K3PbAu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205686.

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                    The Materials Project. Materials Data on K3PbAu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1205686

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                    The Materials Project. 2020.  
"Materials Data on K3PbAu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1205686.  https://www.osti.gov/servlets/purl/1205686. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205686,

  title        = {Materials Data on K3PbAu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K3Au5Pb crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. There are two shorter (3.60 Å) and four longer (3.66 Å) K–Au bond lengths. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to ten Au1- atoms. There are a spread of K–Au bond distances ranging from 3.41–3.76 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 10-coordinate geometry to six K1+, three Au1-, and one Pb2+ atom. There are two shorter (2.82 Å) and one longer (2.90 Å) Au–Au bond lengths. The Au–Pb bond length is 2.77 Å. In the second Au1- site, Au1- is bonded to six equivalent K1+ and six Au1- atoms to form a mixture of face and edge-sharing AuK6Au6 cuboctahedra. All Au–Au bond lengths are 2.91 Å. In the third Au1- site, Au1- is bonded in a 10-coordinate geometry to four equivalent K1+ and six Au1- atoms. Both Au–Au bond lengths are 2.89 Å. Pb2+ is bonded in a distorted water-like geometry to two equivalent Au1- atoms.},

  doi          = {10.17188/1205686},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1205686

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