Materials Data on RbUTe3Au by Materials Project

doi:10.17188/1312208

Title: Materials Data on RbUTe3Au by Materials Project

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Abstract

RbAuUTe3 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 Te2- atoms. Both Rb–Au bond lengths are 4.11 Å. There are a spread of Rb–Te bond distances ranging from 3.77–3.99 Å. U6+ is bonded to six Te2- atoms to form distorted UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent AuRb2Te4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.08 Å) and four longer (3.10 Å) U–Te bond lengths. Au1- is bonded to two equivalent Rb1+ and four Te2- atoms to form distorted AuRb2Te4 tetrahedra that share edges with four equivalent UTe6 octahedra and edges with two equivalent AuRb2Te4 tetrahedra. There are two shorter (2.77 Å) and two longer (2.82 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Te2- site, Te2- 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:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-867843

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; RbUTe3Au; Au-Rb-Te-U

OSTI Identifier:: 1312208

DOI:: https://doi.org/10.17188/1312208

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                    The Materials Project. Materials Data on RbUTe3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312208.

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                    The Materials Project. Materials Data on RbUTe3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1312208

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                    The Materials Project. 2020.  
"Materials Data on RbUTe3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1312208.  https://www.osti.gov/servlets/purl/1312208. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1312208,

  title        = {Materials Data on RbUTe3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAuUTe3 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 Te2- atoms. Both Rb–Au bond lengths are 4.11 Å. There are a spread of Rb–Te bond distances ranging from 3.77–3.99 Å. U6+ is bonded to six Te2- atoms to form distorted UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent AuRb2Te4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.08 Å) and four longer (3.10 Å) U–Te bond lengths. Au1- is bonded to two equivalent Rb1+ and four Te2- atoms to form distorted AuRb2Te4 tetrahedra that share edges with four equivalent UTe6 octahedra and edges with two equivalent AuRb2Te4 tetrahedra. There are two shorter (2.77 Å) and two longer (2.82 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent U6+, and one Au1- atom. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent U6+, and two equivalent Au1- atoms.},

  doi          = {10.17188/1312208},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1312208

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