Materials Data on PaS3 by Materials Project

doi:10.17188/1309672

Title: Materials Data on PaS3 by Materials Project

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Abstract

PaS3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent S+1.67- atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.95 Å) Pa–S bond lengths. S+1.67- is bonded in a 4-coordinate geometry to four equivalent Pa5+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-862857

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; PaS3; Pa-S

OSTI Identifier:: 1309672

DOI:: https://doi.org/10.17188/1309672

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                    The Materials Project. Materials Data on PaS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309672.

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                    The Materials Project. Materials Data on PaS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309672

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                    The Materials Project. 2020.  
"Materials Data on PaS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309672.  https://www.osti.gov/servlets/purl/1309672. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1309672,

  title        = {Materials Data on PaS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PaS3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent S+1.67- atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.95 Å) Pa–S bond lengths. S+1.67- is bonded in a 4-coordinate geometry to four equivalent Pa5+ atoms.},

  doi          = {10.17188/1309672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1309672

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