Materials Data on Yb(Mo3S4)2 by Materials Project

doi:10.17188/1203839

Title: Materials Data on Yb(Mo3S4)2 by Materials Project

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Abstract

YbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.73 Å) and six longer (3.07 Å) Yb–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Yb3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Yb3+ and four equivalent Mo+2.17+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-2945

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; Yb(Mo3S4)2; Mo-S-Yb

OSTI Identifier:: 1203839

DOI:: https://doi.org/10.17188/1203839

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                    The Materials Project. Materials Data on Yb(Mo3S4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203839.

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                    The Materials Project. Materials Data on Yb(Mo3S4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203839

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                    The Materials Project. 2020.  
"Materials Data on Yb(Mo3S4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203839.  https://www.osti.gov/servlets/purl/1203839. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203839,

  title        = {Materials Data on Yb(Mo3S4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.73 Å) and six longer (3.07 Å) Yb–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.57 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Yb3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Yb3+ and four equivalent Mo+2.17+ atoms.},

  doi          = {10.17188/1203839},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203839

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