Materials Data on Pr(Mo3S4)2 by Materials Project

doi:10.17188/1685718

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

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Abstract

PrMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.83 Å) and six longer (3.06 Å) Pr–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Pr3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent Mo+2.17+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-1104449

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; Mo-Pr-S; Pr(Mo3S4)2; crystal structure

OSTI Identifier:: 1685718

DOI:: https://doi.org/10.17188/1685718

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                    Materials Data on Pr(Mo3S4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685718.

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                    Materials Data on Pr(Mo3S4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685718

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                    2020.  
"Materials Data on Pr(Mo3S4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685718.  https://www.osti.gov/servlets/purl/1685718. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1685718,

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

  
  abstractNote = {PrMo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Pr3+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are two shorter (2.83 Å) and six longer (3.06 Å) Pr–S bond lengths. Mo+2.17+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.41–2.60 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to one Pr3+ and three equivalent Mo+2.17+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Pr3+ and four equivalent Mo+2.17+ atoms.},

  doi          = {10.17188/1685718},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685718

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