Materials Data on Pr2ZnAs4 by Materials Project

doi:10.17188/1711553

Title: Materials Data on Pr2ZnAs4 by Materials Project

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Abstract

Pr2ZnAs4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.20 Å) Pr–As bond lengths. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.53 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent As2- atoms. All As–As bond lengths are 2.82 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219837

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; Pr2ZnAs4; As-Pr-Zn

OSTI Identifier:: 1711553

DOI:: https://doi.org/10.17188/1711553

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                    The Materials Project. Materials Data on Pr2ZnAs4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711553.

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                    The Materials Project. Materials Data on Pr2ZnAs4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711553

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                    The Materials Project. 2020.  
"Materials Data on Pr2ZnAs4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711553.  https://www.osti.gov/servlets/purl/1711553. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1711553,

  title        = {Materials Data on Pr2ZnAs4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr2ZnAs4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Pr3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are four shorter (3.04 Å) and four longer (3.20 Å) Pr–As bond lengths. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.53 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Pr3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Pr3+ and four equivalent As2- atoms. All As–As bond lengths are 2.82 Å.},

  doi          = {10.17188/1711553},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711553

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