Materials Data on Pr3Ir by Materials Project

doi:10.17188/1662447

Title: Materials Data on Pr3Ir by Materials Project

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Abstract

Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1106395

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; Pr3Ir; Ir-Pr

OSTI Identifier:: 1662447

DOI:: https://doi.org/10.17188/1662447

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                    The Materials Project. Materials Data on Pr3Ir by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1662447.

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                    The Materials Project. Materials Data on Pr3Ir by Materials Project.  United States.  doi:https://doi.org/10.17188/1662447

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                    The Materials Project. 2020.  
"Materials Data on Pr3Ir by Materials Project".  United States.  doi:https://doi.org/10.17188/1662447.  https://www.osti.gov/servlets/purl/1662447. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1662447,

  title        = {Materials Data on Pr3Ir by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.93 Å) and one longer (2.97 Å) Pr–Ir bond lengths. In the second Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.92 Å) and one longer (3.01 Å) Pr–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Pr atoms.},

  doi          = {10.17188/1662447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662447

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