Materials Data on Tb2YbS4 by Materials Project

doi:10.17188/1282385

Title: Materials Data on Tb2YbS4 by Materials Project

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Abstract

YbTb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent TbS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent TbS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.02 Å) Yb–S bond lengths. Tb3+ is bonded to eight equivalent S2- atoms to form distorted TbS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent TbS8 hexagonal bipyramids, edges with four equivalent TbS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.77–3.01 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Tb3+ atoms to form a mixture of distorted edge, face, and corner-sharing STb4Yb2 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-673682

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; Tb2YbS4; S-Tb-Yb

OSTI Identifier:: 1282385

DOI:: https://doi.org/10.17188/1282385

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                    The Materials Project. Materials Data on Tb2YbS4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282385.

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                    The Materials Project. Materials Data on Tb2YbS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282385

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                    The Materials Project. 2020.  
"Materials Data on Tb2YbS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282385.  https://www.osti.gov/servlets/purl/1282385. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1282385,

  title        = {Materials Data on Tb2YbS4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbTb2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Yb2+ is bonded to eight equivalent S2- atoms to form distorted YbS8 hexagonal bipyramids that share corners with eight equivalent TbS8 hexagonal bipyramids, edges with four equivalent YbS8 hexagonal bipyramids, and faces with eight equivalent TbS8 hexagonal bipyramids. There are four shorter (2.81 Å) and four longer (3.02 Å) Yb–S bond lengths. Tb3+ is bonded to eight equivalent S2- atoms to form distorted TbS8 hexagonal bipyramids that share corners with four equivalent YbS8 hexagonal bipyramids, corners with four equivalent TbS8 hexagonal bipyramids, edges with four equivalent TbS8 hexagonal bipyramids, faces with four equivalent YbS8 hexagonal bipyramids, and faces with four equivalent TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.77–3.01 Å. S2- is bonded to two equivalent Yb2+ and four equivalent Tb3+ atoms to form a mixture of distorted edge, face, and corner-sharing STb4Yb2 octahedra. The corner-sharing octahedra tilt angles range from 17–50°.},

  doi          = {10.17188/1282385},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282385

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