Materials Data on YHO2 by Materials Project

doi:10.17188/1290501

Title: Materials Data on YHO2 by Materials Project

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Abstract

YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-756402

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; YHO2; H-O-Y

OSTI Identifier:: 1290501

DOI:: https://doi.org/10.17188/1290501

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                    The Materials Project. Materials Data on YHO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290501.

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                    The Materials Project. Materials Data on YHO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290501

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                    The Materials Project. 2020.  
"Materials Data on YHO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290501.  https://www.osti.gov/servlets/purl/1290501. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1290501,

  title        = {Materials Data on YHO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YHO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Y–O bond distances ranging from 2.22–2.42 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Y3+ and one H1+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Y3+ atoms.},

  doi          = {10.17188/1290501},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1290501

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