Materials Data on ZnCoTe3O8 by Materials Project

doi:10.17188/1746389

Title: Materials Data on ZnCoTe3O8 by Materials Project

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Abstract

CoZnTe3O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Co–O bond distances ranging from 2.03–2.53 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.59 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.77 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.75 Å. In the third Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.12 Å) Te–O bond lengths. In the fourth Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.12 Å) Te–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site,more »« less

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1215732

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; ZnCoTe3O8; Co-O-Te-Zn

OSTI Identifier:: 1746389

DOI:: https://doi.org/10.17188/1746389

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                    The Materials Project. Materials Data on ZnCoTe3O8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746389.

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                    The Materials Project. Materials Data on ZnCoTe3O8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746389

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                    The Materials Project. 2020.  
"Materials Data on ZnCoTe3O8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746389.  https://www.osti.gov/servlets/purl/1746389. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1746389,

  title        = {Materials Data on ZnCoTe3O8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoZnTe3O8 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Co–O bond distances ranging from 2.03–2.53 Å. Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.04–2.59 Å. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.77 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.75 Å. In the third Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.91 Å) and two longer (2.12 Å) Te–O bond lengths. In the fourth Te4+ site, Te4+ is bonded in a see-saw-like geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.12 Å) Te–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Co2+ and two Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+ and two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co2+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Co2+, one Zn2+, and two Te4+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Co2+, one Zn2+, and two Te4+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co2+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Zn2+ and one Te4+ atom.},

  doi          = {10.17188/1746389},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1746389

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