Materials Data on CsAuS by Materials Project

doi:10.17188/1687490

Title: Materials Data on CsAuS by Materials Project

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Abstract

CsAuS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to two equivalent Au1+ and five equivalent S2- atoms. Both Cs–Au bond lengths are 3.65 Å. There are a spread of Cs–S bond distances ranging from 3.59–3.91 Å. Au1+ is bonded in a distorted square co-planar geometry to two equivalent Cs1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.34 Å. S2- is bonded to five equivalent Cs1+ and two equivalent Au1+ atoms to form a mixture of distorted corner and edge-sharing SCs5Au2 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1077383

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; CsAuS; Au-Cs-S

OSTI Identifier:: 1687490

DOI:: https://doi.org/10.17188/1687490

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                    The Materials Project. Materials Data on CsAuS by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687490.

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                    The Materials Project. Materials Data on CsAuS by Materials Project.  United States.  doi:https://doi.org/10.17188/1687490

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                    The Materials Project. 2020.  
"Materials Data on CsAuS by Materials Project".  United States.  doi:https://doi.org/10.17188/1687490.  https://www.osti.gov/servlets/purl/1687490. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1687490,

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

  author       = {The Materials Project},

  abstractNote = {CsAuS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to two equivalent Au1+ and five equivalent S2- atoms. Both Cs–Au bond lengths are 3.65 Å. There are a spread of Cs–S bond distances ranging from 3.59–3.91 Å. Au1+ is bonded in a distorted square co-planar geometry to two equivalent Cs1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.34 Å. S2- is bonded to five equivalent Cs1+ and two equivalent Au1+ atoms to form a mixture of distorted corner and edge-sharing SCs5Au2 pentagonal bipyramids.},

  doi          = {10.17188/1687490},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687490

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