Materials Data on YbCl2 by Materials Project

doi:10.17188/1199339

Title: Materials Data on YbCl2 by Materials Project

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Abstract

YbCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Yb2+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.74–2.87 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Yb2+ atoms to form a mixture of edge and corner-sharing ClYb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a trigonal planar geometry to three equivalent Yb2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-23220

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; YbCl2; Cl-Yb

OSTI Identifier:: 1199339

DOI:: https://doi.org/10.17188/1199339

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                    The Materials Project. Materials Data on YbCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199339.

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                    The Materials Project. Materials Data on YbCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199339

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                    The Materials Project. 2020.  
"Materials Data on YbCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199339.  https://www.osti.gov/servlets/purl/1199339. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1199339,

  title        = {Materials Data on YbCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbCl2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Yb2+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing YbCl7 pentagonal bipyramids. There are a spread of Yb–Cl bond distances ranging from 2.74–2.87 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Yb2+ atoms to form a mixture of edge and corner-sharing ClYb4 tetrahedra. In the second Cl1- site, Cl1- is bonded in a trigonal planar geometry to three equivalent Yb2+ atoms.},

  doi          = {10.17188/1199339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199339

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