Materials Data on Pr3In5 by Materials Project

doi:10.17188/1753015

Title: Materials Data on Pr3In5 by Materials Project

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Abstract

Pr3In5 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 In atoms. There are a spread of Pr–In bond distances ranging from 3.20–3.62 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Pr–In bond distances ranging from 3.31–3.61 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Pr and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Pr and four In atoms. There are two shorter (3.06 Å) and one longer (3.41 Å) In–In bond lengths. In the third In site, In is bonded in a 3-coordinate geometry to six Pr and two equivalent In atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1189599

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; Pr3In5; In-Pr

OSTI Identifier:: 1753015

DOI:: https://doi.org/10.17188/1753015

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                    The Materials Project. Materials Data on Pr3In5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753015.

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                    The Materials Project. Materials Data on Pr3In5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753015

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                    The Materials Project. 2020.  
"Materials Data on Pr3In5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753015.  https://www.osti.gov/servlets/purl/1753015. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1753015,

  title        = {Materials Data on Pr3In5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3In5 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 In atoms. There are a spread of Pr–In bond distances ranging from 3.20–3.62 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Pr–In bond distances ranging from 3.31–3.61 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Pr and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Pr and four In atoms. There are two shorter (3.06 Å) and one longer (3.41 Å) In–In bond lengths. In the third In site, In is bonded in a 3-coordinate geometry to six Pr and two equivalent In atoms.},

  doi          = {10.17188/1753015},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753015

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