Materials Data on RbUAgS3 by Materials Project

doi:10.17188/1189536

Title: Materials Data on RbUAgS3 by Materials Project

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Abstract

RbUAgS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.40–3.72 Å. U4+ is bonded to six S2- atoms to form US6 octahedra that share corners with two equivalent US6 octahedra, edges with two equivalent US6 octahedra, and edges with four equivalent AgS4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four shorter (2.74 Å) and two longer (2.76 Å) U–S bond lengths. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and edges with four equivalent US6 octahedra. There are two shorter (2.48 Å) and two longer (2.57 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U4+, and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U4+, and two equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-13350

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; RbUAgS3; Ag-Rb-S-U

OSTI Identifier:: 1189536

DOI:: https://doi.org/10.17188/1189536

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                    The Materials Project. Materials Data on RbUAgS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189536.

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                    The Materials Project. Materials Data on RbUAgS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189536

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                    The Materials Project. 2020.  
"Materials Data on RbUAgS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189536.  https://www.osti.gov/servlets/purl/1189536. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1189536,

  title        = {Materials Data on RbUAgS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbUAgS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.40–3.72 Å. U4+ is bonded to six S2- atoms to form US6 octahedra that share corners with two equivalent US6 octahedra, edges with two equivalent US6 octahedra, and edges with four equivalent AgS4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are four shorter (2.74 Å) and two longer (2.76 Å) U–S bond lengths. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and edges with four equivalent US6 octahedra. There are two shorter (2.48 Å) and two longer (2.57 Å) Ag–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U4+, and one Ag1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U4+, and two equivalent Ag1+ atoms.},

  doi          = {10.17188/1189536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189536

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