Materials Data on FeCo9O20 by Materials Project

doi:10.17188/1300254

Title: Materials Data on FeCo9O20 by Materials Project

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Abstract

Fe(Co2O5)2(Lix0CoO2)5 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Fe(Co2O5)2 sheet oriented in the (0, 0, 1) direction and one Lix0CoO2 sheet oriented in the (0, 0, 1) direction. In the Fe(Co2O5)2 sheet, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–2.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.92 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share an edgeedge with one FeO6 octahedra and edges with five CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the second O site, O is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-771048

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; FeCo9O20; Co-Fe-O

OSTI Identifier:: 1300254

DOI:: https://doi.org/10.17188/1300254

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                    The Materials Project. Materials Data on FeCo9O20 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1300254.

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                    The Materials Project. Materials Data on FeCo9O20 by Materials Project.  United States.  doi:https://doi.org/10.17188/1300254

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                    The Materials Project. 2020.  
"Materials Data on FeCo9O20 by Materials Project".  United States.  doi:https://doi.org/10.17188/1300254.  https://www.osti.gov/servlets/purl/1300254. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1300254,

  title        = {Materials Data on FeCo9O20 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe(Co2O5)2(Lix0CoO2)5 is trigonal omega-derived structured and crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one Fe(Co2O5)2 sheet oriented in the (0, 0, 1) direction and one Lix0CoO2 sheet oriented in the (0, 0, 1) direction. In the Fe(Co2O5)2 sheet, Fe is bonded to six O atoms to form FeO6 octahedra that share edges with six CoO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–2.03 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent FeO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.92 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share an edgeedge with one FeO6 octahedra and edges with five CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.86–1.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the second O site, O is bonded in a distorted T-shaped geometry to one Fe and two Co atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to three Co atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Fe and two equivalent Co atoms. In the Lix0CoO2 sheet, there are three inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.89 Å. In the second Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.89 Å. In the third Co site, Co is bonded to six O atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.89 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms.},

  doi          = {10.17188/1300254},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1300254

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