Materials Data on Tb2CoTe2(SO7)2 by Materials Project

doi:10.17188/1740102

Title: Materials Data on Tb2CoTe2(SO7)2 by Materials Project

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Abstract

Tb2CoTe2(SO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.57 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are two shorter (2.05 Å) and four longer (2.13 Å) Co–O bond lengths. Te6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Tb4+ and one S2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb4+ and one S2+ atom. In the fourthmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1190385

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; Tb2CoTe2(SO7)2; Co-O-S-Tb-Te

OSTI Identifier:: 1740102

DOI:: https://doi.org/10.17188/1740102

Citation Formats


                    The Materials Project. Materials Data on Tb2CoTe2(SO7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740102.

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                    The Materials Project. Materials Data on Tb2CoTe2(SO7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740102

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                    The Materials Project. 2020.  
"Materials Data on Tb2CoTe2(SO7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740102.  https://www.osti.gov/servlets/purl/1740102. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740102,

  title        = {Materials Data on Tb2CoTe2(SO7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2CoTe2(SO7)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.57 Å. Co4+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent SO4 tetrahedra. There are two shorter (2.05 Å) and four longer (2.13 Å) Co–O bond lengths. Te6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–1.92 Å. S2+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one CoO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Tb4+ and one S2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Co4+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Tb4+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Tb4+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb4+ and one Te6+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tb4+, one Co4+, and one Te6+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Tb4+, one Co4+, and one Te6+ atom.},

  doi          = {10.17188/1740102},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740102

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