Materials Data on RbCdAuS2 by Materials Project

doi:10.17188/1270380

Title: Materials Data on RbCdAuS2 by Materials Project

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Abstract

RbAuCdS2 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. Rb1+ is bonded to two equivalent Au1+ and six equivalent S2- atoms to form RbAu2S6 hexagonal bipyramids that share corners with two equivalent RbAu2S6 hexagonal bipyramids, corners with eight equivalent CdS4 tetrahedra, edges with six equivalent RbAu2S6 hexagonal bipyramids, and edges with two equivalent CdS4 tetrahedra. Both Rb–Au bond lengths are 3.76 Å. There are a spread of Rb–S bond distances ranging from 3.48–3.65 Å. Au1+ is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.34 Å. Cd2+ is bonded to four equivalent S2- atoms to form distorted CdS4 tetrahedra that share corners with eight equivalent RbAu2S6 hexagonal bipyramids, edges with two equivalent RbAu2S6 hexagonal bipyramids, and edges with two equivalent CdS4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.64 Å) Cd–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Au1+, and two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-558536

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; RbCdAuS2; Au-Cd-Rb-S

OSTI Identifier:: 1270380

DOI:: https://doi.org/10.17188/1270380

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                    The Materials Project. Materials Data on RbCdAuS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270380.

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                    The Materials Project. Materials Data on RbCdAuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270380

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                    The Materials Project. 2020.  
"Materials Data on RbCdAuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270380.  https://www.osti.gov/servlets/purl/1270380. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1270380,

  title        = {Materials Data on RbCdAuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAuCdS2 crystallizes in the orthorhombic Pcca space group. The structure is three-dimensional. Rb1+ is bonded to two equivalent Au1+ and six equivalent S2- atoms to form RbAu2S6 hexagonal bipyramids that share corners with two equivalent RbAu2S6 hexagonal bipyramids, corners with eight equivalent CdS4 tetrahedra, edges with six equivalent RbAu2S6 hexagonal bipyramids, and edges with two equivalent CdS4 tetrahedra. Both Rb–Au bond lengths are 3.76 Å. There are a spread of Rb–S bond distances ranging from 3.48–3.65 Å. Au1+ is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent S2- atoms. Both Au–S bond lengths are 2.34 Å. Cd2+ is bonded to four equivalent S2- atoms to form distorted CdS4 tetrahedra that share corners with eight equivalent RbAu2S6 hexagonal bipyramids, edges with two equivalent RbAu2S6 hexagonal bipyramids, and edges with two equivalent CdS4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.64 Å) Cd–S bond lengths. S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Au1+, and two equivalent Cd2+ atoms.},

  doi          = {10.17188/1270380},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1270380

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