Materials Data on Y2Bi2O7 by Materials Project

doi:10.17188/1289100

Title: Materials Data on Y2Bi2O7 by Materials Project

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Abstract

Y2Bi2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.38 Å. Bi4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.08–2.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Bi4+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi4+ atoms to form distorted edge-sharing OY2Bi2 trigonal pyramids. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Bi4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-06-07

Other Number(s):: mp-753691

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; Y2Bi2O7; Bi-O-Y

OSTI Identifier:: 1289100

DOI:: https://doi.org/10.17188/1289100

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                    The Materials Project. Materials Data on Y2Bi2O7 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1289100.

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                    The Materials Project. Materials Data on Y2Bi2O7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289100

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                    The Materials Project. 2017.  
"Materials Data on Y2Bi2O7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289100.  https://www.osti.gov/servlets/purl/1289100. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1289100,

  title        = {Materials Data on Y2Bi2O7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Bi2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.38 Å. Bi4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.08–2.34 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Y3+ and one Bi4+ atom. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Bi4+ atoms to form distorted edge-sharing OY2Bi2 trigonal pyramids. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Bi4+ atoms.},

  doi          = {10.17188/1289100},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1289100

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