Materials Data on Pr5Tl3 by Materials Project

doi:10.17188/1275723

Title: Materials Data on Pr5Tl3 by Materials Project

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Abstract

Pr5Tl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.30–3.67 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.30–3.67 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Pr and four equivalent Tl atoms. Both Pr–Pr bond lengths are 3.18 Å. There are two shorter (3.28 Å) and two longer (3.29 Å) Pr–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Pr atoms. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight Pr and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.18 Å.

Authors:: The Materials Project

Publication Date:: 2019-06-06

Other Number(s):: mp-570469

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; Pr5Tl3; Pr-Tl

OSTI Identifier:: 1275723

DOI:: https://doi.org/10.17188/1275723

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                    The Materials Project. Materials Data on Pr5Tl3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1275723.

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                    The Materials Project. Materials Data on Pr5Tl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275723

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                    The Materials Project. 2019.  
"Materials Data on Pr5Tl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275723.  https://www.osti.gov/servlets/purl/1275723. Pub date:Thu Jun 06 00:00:00 EDT 2019

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@article{osti_1275723,

  title        = {Materials Data on Pr5Tl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr5Tl3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.30–3.67 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Tl atoms. There are a spread of Pr–Tl bond distances ranging from 3.30–3.67 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to two equivalent Pr and four equivalent Tl atoms. Both Pr–Pr bond lengths are 3.18 Å. There are two shorter (3.28 Å) and two longer (3.29 Å) Pr–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Pr atoms. In the second Tl site, Tl is bonded in a 10-coordinate geometry to eight Pr and two equivalent Tl atoms. Both Tl–Tl bond lengths are 3.18 Å.},

  doi          = {10.17188/1275723},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1275723

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