Materials Data on SrYb2O4 by Materials Project

doi:10.17188/1195380

Title: Materials Data on SrYb2O4 by Materials Project

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Abstract

SrYb2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.76 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.26–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalentmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-20248

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; SrYb2O4; O-Sr-Yb

OSTI Identifier:: 1195380

DOI:: https://doi.org/10.17188/1195380

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                    The Materials Project. Materials Data on SrYb2O4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195380.

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                    The Materials Project. Materials Data on SrYb2O4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195380

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                    The Materials Project. 2020.  
"Materials Data on SrYb2O4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195380.  https://www.osti.gov/servlets/purl/1195380. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1195380,

  title        = {Materials Data on SrYb2O4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrYb2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.76 Å. There are two inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.24–2.38 Å. In the second Yb3+ site, Yb3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing YbO6 octahedra. The corner-sharing octahedra tilt angles range from 49–70°. There are a spread of Yb–O bond distances ranging from 2.26–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three Yb3+ atoms to form a mixture of distorted edge and corner-sharing OSr2Yb3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Yb3+ atoms to form a mixture of edge and corner-sharing OSr2Yb3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Yb3+ atoms.},

  doi          = {10.17188/1195380},

  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/10.17188/1195380

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