Materials Data on Yb2Se3 by Materials Project

doi:10.17188/1711119

Title: Materials Data on Yb2Se3 by Materials Project

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Abstract

Yb2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Yb–Se bond distances ranging from 2.84–2.99 Å. In the second Yb3+ site, Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 6–29°. There are a spread of Yb–Se bond distances ranging from 2.89–3.02 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Yb3+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a see-saw-like geometry to four Yb3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1188185

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; Yb2Se3; Se-Yb

OSTI Identifier:: 1711119

DOI:: https://doi.org/10.17188/1711119

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                    The Materials Project. Materials Data on Yb2Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711119.

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                    The Materials Project. Materials Data on Yb2Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711119

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                    The Materials Project. 2020.  
"Materials Data on Yb2Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711119.  https://www.osti.gov/servlets/purl/1711119. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1711119,

  title        = {Materials Data on Yb2Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb2Se3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six Se2- atoms to form a mixture of distorted edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedral tilt angles are 6°. There are a spread of Yb–Se bond distances ranging from 2.84–2.99 Å. In the second Yb3+ site, Yb3+ is bonded to six Se2- atoms to form a mixture of edge and corner-sharing YbSe6 octahedra. The corner-sharing octahedra tilt angles range from 6–29°. There are a spread of Yb–Se bond distances ranging from 2.89–3.02 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Yb3+ and one Se2- atom. The Se–Se bond length is 2.38 Å. In the second Se2- site, Se2- is bonded in a see-saw-like geometry to four Yb3+ atoms.},

  doi          = {10.17188/1711119},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711119

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