Materials Data on KAuCl4 by Materials Project

doi:10.17188/1274858

Title: Materials Data on KAuCl4 by Materials Project

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Abstract

KAuCl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.24–3.71 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Au–Cl bond lengths. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-568986

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; KAuCl4; Au-Cl-K

OSTI Identifier:: 1274858

DOI:: https://doi.org/10.17188/1274858

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                    The Materials Project. Materials Data on KAuCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274858.

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                    The Materials Project. Materials Data on KAuCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274858

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                    The Materials Project. 2020.  
"Materials Data on KAuCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274858.  https://www.osti.gov/servlets/purl/1274858. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1274858,

  title        = {Materials Data on KAuCl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KAuCl4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.24–3.71 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.32 Å) and two longer (2.33 Å) Au–Cl bond lengths. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four Cl1- atoms. All Au–Cl bond lengths are 2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Au3+ atom. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Au3+ atom.},

  doi          = {10.17188/1274858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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