Materials Data on CoSeClO6 by Materials Project

doi:10.17188/1734243

Title: Materials Data on CoSeClO6 by Materials Project

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Abstract

CoSeO6Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CoSeO6Cl ribbon oriented in the (1, 1, -1) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded in an octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.74 Å) and two longer (1.92 Å) Co–O bond length. Both Co–Cl bond lengths are 2.25 Å. In the second Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.76–1.96 Å. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.78 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Co and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Co and one Se atom. In the fourth O site, O is bonded in a single-bond geometrymore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1213819

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; CoSeClO6; Cl-Co-O-Se

OSTI Identifier:: 1734243

DOI:: https://doi.org/10.17188/1734243

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                    The Materials Project. Materials Data on CoSeClO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734243.

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                    The Materials Project. Materials Data on CoSeClO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734243

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                    The Materials Project. 2020.  
"Materials Data on CoSeClO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734243.  https://www.osti.gov/servlets/purl/1734243. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1734243,

  title        = {Materials Data on CoSeClO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CoSeO6Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one CoSeO6Cl ribbon oriented in the (1, 1, -1) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded in an octahedral geometry to four O and two equivalent Cl atoms. There is two shorter (1.74 Å) and two longer (1.92 Å) Co–O bond length. Both Co–Cl bond lengths are 2.25 Å. In the second Co site, Co is bonded in an octahedral geometry to six O atoms. There are a spread of Co–O bond distances ranging from 1.76–1.96 Å. Se is bonded in a trigonal non-coplanar geometry to three O atoms. There are a spread of Se–O bond distances ranging from 1.67–1.78 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Co and one Se atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Co and one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Co atom. In the fifth O site, O is bonded in a single-bond geometry to one Se atom. In the sixth O site, O is bonded in a single-bond geometry to one Co atom. Cl is bonded in a single-bond geometry to one Co atom.},

  doi          = {10.17188/1734243},

  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/10.17188/1734243

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