Materials Data on TaZn2AgO6 by Materials Project

doi:10.17188/1320892

Title: Materials Data on TaZn2AgO6 by Materials Project

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Abstract

TaAgZn2O6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Ta–O bond distances ranging from 1.95–2.05 Å. Ag3+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.00–2.75 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.07–2.69 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+, one Ag3+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+, one Ag3+, and three Zn2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and two Zn2+more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mvc-4179

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; TaZn2AgO6; Ag-O-Ta-Zn

OSTI Identifier:: 1320892

DOI:: https://doi.org/10.17188/1320892

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                    The Materials Project. Materials Data on TaZn2AgO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1320892.

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                    The Materials Project. Materials Data on TaZn2AgO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1320892

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                    The Materials Project. 2020.  
"Materials Data on TaZn2AgO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1320892.  https://www.osti.gov/servlets/purl/1320892. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1320892,

  title        = {Materials Data on TaZn2AgO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TaAgZn2O6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of Ta–O bond distances ranging from 1.95–2.05 Å. Ag3+ is bonded in a distorted square co-planar geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.00–2.75 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.07–2.69 Å. In the second Zn2+ site, Zn2+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.70 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+, one Ag3+, and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+, one Ag3+, and three Zn2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and two Zn2+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Ag3+ and two Zn2+ atoms to form corner-sharing OZn2Ag2 tetrahedra.},

  doi          = {10.17188/1320892},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1320892

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