Materials Data on YH3 by Materials Project

doi:10.17188/1199674

Title: Materials Data on YH3 by Materials Project

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Abstract

YH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Y–H bond distances ranging from 2.14–2.50 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms. In the second H1- site, H1- is bonded to four equivalent Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing HY4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-23706

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; YH3; H-Y

OSTI Identifier:: 1199674

DOI:: https://doi.org/10.17188/1199674

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                    The Materials Project. Materials Data on YH3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199674.

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                    The Materials Project. Materials Data on YH3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199674

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                    The Materials Project. 2020.  
"Materials Data on YH3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199674.  https://www.osti.gov/servlets/purl/1199674. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1199674,

  title        = {Materials Data on YH3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YH3 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Y3+ is bonded in a 11-coordinate geometry to eleven H1- atoms. There are a spread of Y–H bond distances ranging from 2.14–2.50 Å. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms. In the second H1- site, H1- is bonded to four equivalent Y3+ atoms to form a mixture of distorted face, edge, and corner-sharing HY4 tetrahedra. In the third H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.},

  doi          = {10.17188/1199674},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1199674

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