Materials Data on PrS2 by Materials Project

doi:10.17188/1192452

Title: Materials Data on PrS2 by Materials Project

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Abstract

PrS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.88–3.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom. The S–S bond length is 2.12 Å. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-17329

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; PrS2; Pr-S

OSTI Identifier:: 1192452

DOI:: https://doi.org/10.17188/1192452

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                    The Materials Project. Materials Data on PrS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192452.

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                    The Materials Project. Materials Data on PrS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192452

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                    The Materials Project. 2020.  
"Materials Data on PrS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192452.  https://www.osti.gov/servlets/purl/1192452. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1192452,

  title        = {Materials Data on PrS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrS2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr4+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.88–3.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five equivalent Pr4+ atoms to form a mixture of distorted corner and edge-sharing SPr5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom. The S–S bond length is 2.12 Å. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Pr4+ and one S2- atom.},

  doi          = {10.17188/1192452},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1192452

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