Materials Data on Pm2Se3 by Materials Project

doi:10.17188/1733039

Title: Materials Data on Pm2Se3 by Materials Project

Dataset
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Abstract

Pm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.52 Å. In the second Pm3+ site, Pm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PmSe7 pentagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.96–3.03 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 square pyramids. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pm3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1232181

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; Pm2Se3; Pm-Se

OSTI Identifier:: 1733039

DOI:: https://doi.org/10.17188/1733039

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                    The Materials Project. Materials Data on Pm2Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733039.

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                    The Materials Project. Materials Data on Pm2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733039

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                    The Materials Project. 2020.  
"Materials Data on Pm2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733039.  https://www.osti.gov/servlets/purl/1733039. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733039,

  title        = {Materials Data on Pm2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pm2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pm3+ sites. In the first Pm3+ site, Pm3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Pm–Se bond distances ranging from 3.04–3.52 Å. In the second Pm3+ site, Pm3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing PmSe7 pentagonal bipyramids. There are a spread of Pm–Se bond distances ranging from 2.96–3.03 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 square pyramids. In the second Se2- site, Se2- is bonded to five Pm3+ atoms to form a mixture of distorted corner and edge-sharing SePm5 trigonal bipyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Pm3+ atoms.},

  doi          = {10.17188/1733039},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1733039

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