Materials Data on Co3(SeO3)4 by Materials Project

doi:10.17188/1302984

Title: Materials Data on Co3(SeO3)4 by Materials Project

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Abstract

Co3(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.99 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Co+2.67+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one Se4+ atom. In the third O2- site, O2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-775276

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; Co3(SeO3)4; Co-O-Se

OSTI Identifier:: 1302984

DOI:: https://doi.org/10.17188/1302984

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                    The Materials Project. Materials Data on Co3(SeO3)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1302984.

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                    The Materials Project. Materials Data on Co3(SeO3)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1302984

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                    The Materials Project. 2020.  
"Materials Data on Co3(SeO3)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1302984.  https://www.osti.gov/servlets/purl/1302984. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1302984,

  title        = {Materials Data on Co3(SeO3)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co3(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.99 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Co+2.67+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co+2.67+ and one Se4+ atom.},

  doi          = {10.17188/1302984},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1302984

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