Materials Data on Yb4As2O by Materials Project

doi:10.17188/1316159

Title: Materials Data on Yb4As2O by Materials Project

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Abstract

Yb4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.97 Å) and four longer (3.23 Å) Yb–As bond lengths. The Yb–O bond length is 2.59 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Yb–As bond lengths are 3.08 Å. Both Yb–O bond lengths are 2.26 Å. As3- is bonded in a 9-coordinate geometry to nine Yb2+ atoms. O2- is bonded to six Yb2+ atoms to form corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2017-07-21

Other Number(s):: mp-9799

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; Yb4As2O; As-O-Yb

OSTI Identifier:: 1316159

DOI:: https://doi.org/10.17188/1316159

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                    The Materials Project. Materials Data on Yb4As2O by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1316159.

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                    The Materials Project. Materials Data on Yb4As2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1316159

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                    The Materials Project. 2017.  
"Materials Data on Yb4As2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1316159.  https://www.osti.gov/servlets/purl/1316159. Pub date:Fri Jul 21 00:00:00 EDT 2017

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@article{osti_1316159,

  title        = {Materials Data on Yb4As2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb4As2O is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are one shorter (2.97 Å) and four longer (3.23 Å) Yb–As bond lengths. The Yb–O bond length is 2.59 Å. In the second Yb2+ site, Yb2+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Yb–As bond lengths are 3.08 Å. Both Yb–O bond lengths are 2.26 Å. As3- is bonded in a 9-coordinate geometry to nine Yb2+ atoms. O2- is bonded to six Yb2+ atoms to form corner-sharing OYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1316159},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316159

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