Materials Data on PmSe2 by Materials Project

doi:10.17188/1651987

Title: Materials Data on PmSe2 by Materials Project

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Abstract

PmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.13 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.93 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-1232216

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; PmSe2; Pm-Se

OSTI Identifier:: 1651987

DOI:: https://doi.org/10.17188/1651987

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                    The Materials Project. Materials Data on PmSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1651987.

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                    The Materials Project. Materials Data on PmSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651987

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                    The Materials Project. 2020.  
"Materials Data on PmSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651987.  https://www.osti.gov/servlets/purl/1651987. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1651987,

  title        = {Materials Data on PmSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PmSe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pm3+ is bonded in a 9-coordinate geometry to nine Se+1.50- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.13 Å. There are two inequivalent Se+1.50- sites. In the first Se+1.50- site, Se+1.50- is bonded in a 8-coordinate geometry to four equivalent Pm3+ and four equivalent Se+1.50- atoms. All Se–Se bond lengths are 2.93 Å. In the second Se+1.50- site, Se+1.50- is bonded to five equivalent Pm3+ atoms to form a mixture of distorted edge and corner-sharing SePm5 trigonal bipyramids.},

  doi          = {10.17188/1651987},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1651987

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