Materials Data on Yb2MgS4 by Materials Project

doi:10.17188/1698607

Title: Materials Data on Yb2MgS4 by Materials Project

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Abstract

MgYb2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Mg–S bond distances ranging from 2.39–3.09 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Yb–S bond distances ranging from 2.84–3.11 Å. In the second Yb3+ site, Yb3+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing YbS6 pentagonal pyramids. There are a spread of Yb–S bond distances ranging from 2.74–2.88 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+, three Yb3+, and one S2- atom. The S–S bond length is 2.08 Å. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Yb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Yb3+ atoms.

Publication Date:: 2019-01-15

Other Number(s):: mp-1232247

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mg-S-Yb; Yb2MgS4; crystal structure

OSTI Identifier:: 1698607

DOI:: https://doi.org/10.17188/1698607

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                    Materials Data on Yb2MgS4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698607.

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                    Materials Data on Yb2MgS4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698607

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                    2019.  
"Materials Data on Yb2MgS4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698607.  https://www.osti.gov/servlets/purl/1698607. Pub date:Tue Jan 15 23:00:00 EST 2019

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@article{osti_1698607,

  title        = {Materials Data on Yb2MgS4 by Materials Project},

  
  abstractNote = {MgYb2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Mg–S bond distances ranging from 2.39–3.09 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Yb–S bond distances ranging from 2.84–3.11 Å. In the second Yb3+ site, Yb3+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing YbS6 pentagonal pyramids. There are a spread of Yb–S bond distances ranging from 2.74–2.88 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+, three Yb3+, and one S2- atom. The S–S bond length is 2.08 Å. In the second S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Yb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Mg2+ and four Yb3+ atoms.},

  doi          = {10.17188/1698607},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698607

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Materials Data on Yb2MgS4 by Materials Project

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