Materials Data on RbUAuSe3 by Materials Project

doi:10.17188/1312196

Title: Materials Data on RbUAuSe3 by Materials Project

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Abstract

RbAuUSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Se2- atoms. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Se bond distances ranging from 3.55–3.70 Å. U6+ is bonded to four equivalent Au1- and six Se2- atoms to form a mixture of corner and face-sharing UAu4Se6 octahedra. The corner-sharing octahedral tilt angles are 22°. All U–Au bond lengths are 3.49 Å. All U–Se bond lengths are 2.88 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, four equivalent U6+, and four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.70 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-867830

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; RbUAuSe3; Au-Rb-Se-U

OSTI Identifier:: 1312196

DOI:: https://doi.org/10.17188/1312196

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                    The Materials Project. Materials Data on RbUAuSe3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312196.

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                    The Materials Project. Materials Data on RbUAuSe3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312196

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                    The Materials Project. 2020.  
"Materials Data on RbUAuSe3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312196.  https://www.osti.gov/servlets/purl/1312196. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1312196,

  title        = {Materials Data on RbUAuSe3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAuUSe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent Au1- and eight Se2- atoms. Both Rb–Au bond lengths are 3.85 Å. There are a spread of Rb–Se bond distances ranging from 3.55–3.70 Å. U6+ is bonded to four equivalent Au1- and six Se2- atoms to form a mixture of corner and face-sharing UAu4Se6 octahedra. The corner-sharing octahedral tilt angles are 22°. All U–Au bond lengths are 3.49 Å. All U–Se bond lengths are 2.88 Å. Au1- is bonded in a 4-coordinate geometry to two equivalent Rb1+, four equivalent U6+, and four Se2- atoms. There are two shorter (2.57 Å) and two longer (2.70 Å) Au–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.},

  doi          = {10.17188/1312196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1312196

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