Materials Data on Tb2S3 by Materials Project

doi:10.17188/1282362

Title: Materials Data on Tb2S3 by Materials Project

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Abstract

Tb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.76–2.97 Å. In the third Tb3+ site, Tb3+ is bonded to eight S2- atoms to form distorted edge-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.78–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-673644

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; Tb2S3; S-Tb

OSTI Identifier:: 1282362

DOI:: https://doi.org/10.17188/1282362

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                    The Materials Project. Materials Data on Tb2S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282362.

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                    The Materials Project. Materials Data on Tb2S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282362

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                    The Materials Project. 2020.  
"Materials Data on Tb2S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282362.  https://www.osti.gov/servlets/purl/1282362. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1282362,

  title        = {Materials Data on Tb2S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2S3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are three inequivalent Tb3+ sites. In the first Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.73–3.14 Å. In the second Tb3+ site, Tb3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Tb–S bond distances ranging from 2.76–2.97 Å. In the third Tb3+ site, Tb3+ is bonded to eight S2- atoms to form distorted edge-sharing TbS8 hexagonal bipyramids. There are a spread of Tb–S bond distances ranging from 2.78–3.06 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Tb3+ atoms. In the second S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 trigonal bipyramids. In the third S2- site, S2- is bonded to five Tb3+ atoms to form a mixture of distorted edge, corner, and face-sharing STb5 square pyramids.},

  doi          = {10.17188/1282362},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282362

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