Materials Data on Pr3Tl5 by Materials Project

doi:10.17188/1707370

Title: Materials Data on Pr3Tl5 by Materials Project

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Abstract

Pr3Tl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.17–3.77 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.32–3.60 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 5-coordinate geometry to five Pr and six Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.31–3.47 Å. In the second Tl site, Tl is bonded in a 10-coordinate geometry to six Pr and four Tl atoms. There are two shorter (3.18 Å) and one longer (3.46 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Pr and four Tl atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1189377

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; Pr3Tl5; Pr-Tl

OSTI Identifier:: 1707370

DOI:: https://doi.org/10.17188/1707370

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                    The Materials Project. Materials Data on Pr3Tl5 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707370.

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                    The Materials Project. Materials Data on Pr3Tl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707370

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                    The Materials Project. 2019.  
"Materials Data on Pr3Tl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707370.  https://www.osti.gov/servlets/purl/1707370. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1707370,

  title        = {Materials Data on Pr3Tl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Tl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to nine Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.17–3.77 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.32–3.60 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 5-coordinate geometry to five Pr and six Tl atoms. There are a spread of Tl–Tl bond distances ranging from 3.31–3.47 Å. In the second Tl site, Tl is bonded in a 10-coordinate geometry to six Pr and four Tl atoms. There are two shorter (3.18 Å) and one longer (3.46 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Pr and four Tl atoms.},

  doi          = {10.17188/1707370},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707370

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