Materials Data on Zn2FeSbO6 by Materials Project

doi:10.17188/1318955

Title: Materials Data on Zn2FeSbO6 by Materials Project

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Abstract

FeZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Fe–O bond distances ranging from 2.03–2.07 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.08 Å) and one longer (2.15 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.23 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are four shorter (1.99 Å) and two longer (2.10 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+, one Zn2+, and one Sb5+ atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mvc-13702

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; Zn2FeSbO6; Fe-O-Sb-Zn

OSTI Identifier:: 1318955

DOI:: https://doi.org/10.17188/1318955

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                    The Materials Project. Materials Data on Zn2FeSbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318955.

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                    The Materials Project. Materials Data on Zn2FeSbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318955

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                    The Materials Project. 2020.  
"Materials Data on Zn2FeSbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318955.  https://www.osti.gov/servlets/purl/1318955. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1318955,

  title        = {Materials Data on Zn2FeSbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeZn2SbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with two equivalent FeO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Fe–O bond distances ranging from 2.03–2.07 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.08 Å) and one longer (2.15 Å) Zn–O bond lengths. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.23 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are four shorter (1.99 Å) and two longer (2.10 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Fe3+, one Zn2+, and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+, one Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded to two Zn2+ and two equivalent Sb5+ atoms to form distorted OZn2Sb2 tetrahedra that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Fe2 trigonal pyramids. In the fourth O2- site, O2- is bonded to two equivalent Fe3+ and two Zn2+ atoms to form distorted OZn2Fe2 trigonal pyramids that share corners with two equivalent OZn2Sb2 tetrahedra and corners with two equivalent OZn2Fe2 trigonal pyramids.},

  doi          = {10.17188/1318955},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318955

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