Materials Data on Co2TeSO8 by Materials Project

doi:10.17188/1757890

Title: Materials Data on Co2TeSO8 by Materials Project

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Abstract

Co2TeSO8 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent SO4 tetrahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Co–O bond distances ranging from 1.83–2.20 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.92 Å) Te–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In themore »« less

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1195741

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; Co2TeSO8; Co-O-S-Te

OSTI Identifier:: 1757890

DOI:: https://doi.org/10.17188/1757890

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                    The Materials Project. Materials Data on Co2TeSO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757890.

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                    The Materials Project. Materials Data on Co2TeSO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757890

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                    The Materials Project. 2020.  
"Materials Data on Co2TeSO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757890.  https://www.osti.gov/servlets/purl/1757890. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757890,

  title        = {Materials Data on Co2TeSO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co2TeSO8 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Co3+ is bonded to six O2- atoms to form distorted CoO6 octahedra that share a cornercorner with one CoO6 octahedra, corners with two equivalent SO4 tetrahedra, and edges with two equivalent CoO6 octahedra. The corner-sharing octahedral tilt angles are 33°. There are a spread of Co–O bond distances ranging from 1.83–2.20 Å. Te4+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.90 Å) and two longer (1.92 Å) Te–O bond length. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co3+ and one S6+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co3+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Co3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Co3+ atoms.},

  doi          = {10.17188/1757890},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1757890

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