Materials Data on V2Co2Se2O11 by Materials Project

doi:10.17188/1751779

Title: Materials Data on V2Co2Se2O11 by Materials Project

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Abstract

V2Co2Se2O11 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.10 Å. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.08–2.15 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.75 Å) Se–O bond length. In the second Se2+ site, Se2+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.80 Å) Se–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one Se2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co4+ atom. In the fourth O2- site,more »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1199860

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; V2Co2Se2O11; Co-O-Se-V

OSTI Identifier:: 1751779

DOI:: https://doi.org/10.17188/1751779

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                    The Materials Project. Materials Data on V2Co2Se2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751779.

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                    The Materials Project. Materials Data on V2Co2Se2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751779

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                    The Materials Project. 2020.  
"Materials Data on V2Co2Se2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751779.  https://www.osti.gov/servlets/purl/1751779. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751779,

  title        = {Materials Data on V2Co2Se2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Co2Se2O11 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.10 Å. Co4+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.08–2.15 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.74 Å) and one longer (1.75 Å) Se–O bond length. In the second Se2+ site, Se2+ is bonded in a 3-coordinate geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.80 Å) Se–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one Se2+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one V5+ and one Co4+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V5+ and one Se2+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Co4+ and one Se2+ atom. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Co4+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Co4+ atom.},

  doi          = {10.17188/1751779},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751779

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