Materials Data on YbH2 by Materials Project

doi:10.17188/1310012

Title: Materials Data on YbH2 by Materials Project

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Abstract

YbH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Yb–H bond distances ranging from 2.22–2.56 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Yb2+ atoms to form HYb4 tetrahedra that share corners with eight equivalent HYb5 square pyramids, corners with eight equivalent HYb4 tetrahedra, edges with six equivalent HYb5 square pyramids, and edges with two equivalent HYb4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Yb2+ atoms to form distorted HYb5 square pyramids that share corners with eight equivalent HYb5 square pyramids, corners with eight equivalent HYb4 tetrahedra, edges with six equivalent HYb5 square pyramids, and edges with six equivalent HYb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-864603

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; YbH2; H-Yb

OSTI Identifier:: 1310012

DOI:: https://doi.org/10.17188/1310012

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                    The Materials Project. Materials Data on YbH2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1310012.

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                    The Materials Project. Materials Data on YbH2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1310012

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                    The Materials Project. 2020.  
"Materials Data on YbH2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1310012.  https://www.osti.gov/servlets/purl/1310012. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1310012,

  title        = {Materials Data on YbH2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Yb–H bond distances ranging from 2.22–2.56 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Yb2+ atoms to form HYb4 tetrahedra that share corners with eight equivalent HYb5 square pyramids, corners with eight equivalent HYb4 tetrahedra, edges with six equivalent HYb5 square pyramids, and edges with two equivalent HYb4 tetrahedra. In the second H1- site, H1- is bonded to five equivalent Yb2+ atoms to form distorted HYb5 square pyramids that share corners with eight equivalent HYb5 square pyramids, corners with eight equivalent HYb4 tetrahedra, edges with six equivalent HYb5 square pyramids, and edges with six equivalent HYb4 tetrahedra.},

  doi          = {10.17188/1310012},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1310012

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