Materials Data on Mo6PbSe8 by Materials Project

doi:10.17188/1198925

Title: Materials Data on Mo6PbSe8 by Materials Project

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Abstract

PbMo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.79 Å. Pb2+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.95 Å) and six longer (3.25 Å) Pb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to three equivalent Mo+2.33+ and one Pb2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.33+ and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-22721

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; Mo6PbSe8; Mo-Pb-Se

OSTI Identifier:: 1198925

DOI:: https://doi.org/10.17188/1198925

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                    The Materials Project. Materials Data on Mo6PbSe8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1198925.

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                    The Materials Project. Materials Data on Mo6PbSe8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1198925

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                    The Materials Project. 2020.  
"Materials Data on Mo6PbSe8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1198925.  https://www.osti.gov/servlets/purl/1198925. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1198925,

  title        = {Materials Data on Mo6PbSe8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PbMo6Se8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.33+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.53–2.79 Å. Pb2+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.95 Å) and six longer (3.25 Å) Pb–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 10-coordinate geometry to three equivalent Mo+2.33+ and one Pb2+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to four equivalent Mo+2.33+ and one Pb2+ atom.},

  doi          = {10.17188/1198925},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1198925

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