Materials Data on Ca(YbS2)2 by Materials Project

doi:10.17188/1282789

Title: Materials Data on Ca(YbS2)2 by Materials Project

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Abstract

CaYb2S4 is Magnesium tetraboride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.83 Å) and four longer (3.19 Å) Ca–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.84–2.95 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Yb3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-675650

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; Ca(YbS2)2; Ca-S-Yb

OSTI Identifier:: 1282789

DOI:: https://doi.org/10.17188/1282789

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                    The Materials Project. Materials Data on Ca(YbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282789.

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                    The Materials Project. Materials Data on Ca(YbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282789

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                    The Materials Project. 2020.  
"Materials Data on Ca(YbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282789.  https://www.osti.gov/servlets/purl/1282789. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1282789,

  title        = {Materials Data on Ca(YbS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaYb2S4 is Magnesium tetraboride-derived structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.83 Å) and four longer (3.19 Å) Ca–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.84–2.95 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Yb3+ atoms.},

  doi          = {10.17188/1282789},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1282789

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Materials Data on Ca(YbS2)2 by Materials Project

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