Materials Data on YbSn2BiO7 by Materials Project

doi:10.17188/1688908

Title: Materials Data on YbSn2BiO7 by Materials Project

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Abstract

YbSn2BiO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.57 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Sn–O bond lengths are 2.08 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form OYb2Bi2 tetrahedra that share corners with fourteen OYb2Bi2 tetrahedra and edges with five OYb2Sn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sn4+ and two equivalent Bi3+ atoms. Inmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1215646

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; YbSn2BiO7; Bi-O-Sn-Yb

OSTI Identifier:: 1688908

DOI:: https://doi.org/10.17188/1688908

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                    The Materials Project. Materials Data on YbSn2BiO7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1688908.

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                    The Materials Project. Materials Data on YbSn2BiO7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688908

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                    The Materials Project. 2020.  
"Materials Data on YbSn2BiO7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688908.  https://www.osti.gov/servlets/purl/1688908. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1688908,

  title        = {Materials Data on YbSn2BiO7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YbSn2BiO7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.57 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–53°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. All Sn–O bond lengths are 2.08 Å. Bi3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form OYb2Bi2 tetrahedra that share corners with fourteen OYb2Bi2 tetrahedra and edges with five OYb2Sn2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sn4+ and two equivalent Bi3+ atoms. In the third O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Sn4+ atoms to form a mixture of distorted corner and edge-sharing OYb2Sn2 tetrahedra. In the fourth O2- site, O2- is bonded to one Yb3+, two Sn4+, and one Bi3+ atom to form a mixture of distorted corner and edge-sharing OYbSn2Bi tetrahedra.},

  doi          = {10.17188/1688908},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1688908

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