Materials Data on PrAs2 by Materials Project

doi:10.17188/1707128

Title: Materials Data on PrAs2 by Materials Project

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Abstract

PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1102408

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; PrAs2; As-Pr

OSTI Identifier:: 1707128

DOI:: https://doi.org/10.17188/1707128

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                    The Materials Project. Materials Data on PrAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1707128.

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                    The Materials Project. Materials Data on PrAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707128

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                    The Materials Project. 2020.  
"Materials Data on PrAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707128.  https://www.osti.gov/servlets/purl/1707128. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1707128,

  title        = {Materials Data on PrAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrAs2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr3+ is bonded in a 9-coordinate geometry to nine As+1.50- atoms. There are a spread of Pr–As bond distances ranging from 3.04–3.25 Å. There are two inequivalent As+1.50- sites. In the first As+1.50- site, As+1.50- is bonded to five equivalent Pr3+ and one As+1.50- atom to form a mixture of distorted edge and corner-sharing AsPr5As pentagonal pyramids. The As–As bond length is 2.52 Å. In the second As+1.50- site, As+1.50- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two As+1.50- atoms. The As–As bond length is 2.55 Å.},

  doi          = {10.17188/1707128},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1707128

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