Materials Data on PrBS3 by Materials Project

doi:10.17188/1309591

Title: Materials Data on PrBS3 by Materials Project

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Abstract

PrBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.90–3.28 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Pr3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Pr3+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one B3+ atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-862754

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; PrBS3; B-Pr-S

OSTI Identifier:: 1309591

DOI:: https://doi.org/10.17188/1309591

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                    The Materials Project. Materials Data on PrBS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1309591.

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                    The Materials Project. Materials Data on PrBS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1309591

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                    The Materials Project. 2020.  
"Materials Data on PrBS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1309591.  https://www.osti.gov/servlets/purl/1309591. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1309591,

  title        = {Materials Data on PrBS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrBS3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Pr–S bond distances ranging from 2.90–3.28 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. There is one shorter (1.80 Å) and two longer (1.82 Å) B–S bond length. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Pr3+ and one B3+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three equivalent Pr3+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to three equivalent Pr3+ and one B3+ atom.},

  doi          = {10.17188/1309591},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1309591

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