Materials Data on ThUTe2 by Materials Project

doi:10.17188/1752530

Title: Materials Data on ThUTe2 by Materials Project

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Abstract

UThTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to six Te atoms to form UTe6 octahedra that share corners with six equivalent UTe6 octahedra, edges with four equivalent UTe6 octahedra, and edges with eight equivalent ThTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.12 Å) and two longer (3.13 Å) U–Te bond lengths. Th is bonded to six Te atoms to form ThTe6 octahedra that share corners with six equivalent ThTe6 octahedra, edges with four equivalent ThTe6 octahedra, and edges with eight equivalent UTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.12 Å) and two longer (3.13 Å) Th–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to four equivalent U and two equivalent Th atoms to form a mixture of edge and corner-sharing TeTh2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te site, Te is bonded to two equivalent U and four equivalent Th atoms to form TeTh4U2 octahedra that share corners with six equivalent TeTh4U2 octahedra and edges with twelve TeTh2U4 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1217261

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; ThUTe2; Te-Th-U

OSTI Identifier:: 1752530

DOI:: https://doi.org/10.17188/1752530

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                    The Materials Project. Materials Data on ThUTe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752530.

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                    The Materials Project. Materials Data on ThUTe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752530

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                    The Materials Project. 2020.  
"Materials Data on ThUTe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752530.  https://www.osti.gov/servlets/purl/1752530. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1752530,

  title        = {Materials Data on ThUTe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UThTe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded to six Te atoms to form UTe6 octahedra that share corners with six equivalent UTe6 octahedra, edges with four equivalent UTe6 octahedra, and edges with eight equivalent ThTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.12 Å) and two longer (3.13 Å) U–Te bond lengths. Th is bonded to six Te atoms to form ThTe6 octahedra that share corners with six equivalent ThTe6 octahedra, edges with four equivalent ThTe6 octahedra, and edges with eight equivalent UTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (3.12 Å) and two longer (3.13 Å) Th–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to four equivalent U and two equivalent Th atoms to form a mixture of edge and corner-sharing TeTh2U4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te site, Te is bonded to two equivalent U and four equivalent Th atoms to form TeTh4U2 octahedra that share corners with six equivalent TeTh4U2 octahedra and edges with twelve TeTh2U4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1752530},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752530

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