Materials Data on Y3In5 by Materials Project

doi:10.17188/1758398

Title: Materials Data on Y3In5 by Materials Project

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Abstract

Y3In5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.69 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Y–In bond distances ranging from 3.30–3.69 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to six Y and two equivalent In atoms. Both In–In bond lengths are 3.11 Å. In the second In site, In is bonded in a 5-coordinate geometry to five Y and three In atoms. There are one shorter (3.27 Å) and two longer (3.35 Å) In–In bond lengths. In the third In site, In is bonded in a 9-coordinate geometry to six Y and three In atoms. Both In–In bond lengths are 3.18 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to six Y and four In atoms. The In–In bond length is 3.14 Å.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1199503

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; Y3In5; In-Y

OSTI Identifier:: 1758398

DOI:: https://doi.org/10.17188/1758398

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                    The Materials Project. Materials Data on Y3In5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1758398.

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                    The Materials Project. Materials Data on Y3In5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1758398

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                    The Materials Project. 2020.  
"Materials Data on Y3In5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1758398.  https://www.osti.gov/servlets/purl/1758398. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1758398,

  title        = {Materials Data on Y3In5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3In5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Y–In bond distances ranging from 3.21–3.69 Å. In the second Y site, Y is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Y–In bond distances ranging from 3.30–3.69 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to six Y and two equivalent In atoms. Both In–In bond lengths are 3.11 Å. In the second In site, In is bonded in a 5-coordinate geometry to five Y and three In atoms. There are one shorter (3.27 Å) and two longer (3.35 Å) In–In bond lengths. In the third In site, In is bonded in a 9-coordinate geometry to six Y and three In atoms. Both In–In bond lengths are 3.18 Å. In the fourth In site, In is bonded in a 10-coordinate geometry to six Y and four In atoms. The In–In bond length is 3.14 Å.},

  doi          = {10.17188/1758398},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1758398

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