Materials Data on Li2Fe3O10 by Materials Project

doi:10.17188/1293500

Title: Materials Data on Li2Fe3O10 by Materials Project

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Abstract

Li2Fe3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.91–2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.85–1.91 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.72–2.02 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the third O site, O is bonded in a water-like geometry to one Li and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-763418

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; Li2Fe3O10; Fe-Li-O

OSTI Identifier:: 1293500

DOI:: https://doi.org/10.17188/1293500

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                    The Materials Project. Materials Data on Li2Fe3O10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1293500.

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                    The Materials Project. Materials Data on Li2Fe3O10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1293500

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                    The Materials Project. 2020.  
"Materials Data on Li2Fe3O10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1293500.  https://www.osti.gov/servlets/purl/1293500. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1293500,

  title        = {Materials Data on Li2Fe3O10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Fe3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Li–O bond distances ranging from 1.91–2.28 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form a mixture of edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.85–1.91 Å. In the second Fe site, Fe is bonded to six O atoms to form a mixture of distorted edge and corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 27°. There are a spread of Fe–O bond distances ranging from 1.72–2.02 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Fe atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Fe atoms. In the third O site, O is bonded in a water-like geometry to one Li and one O atom. The O–O bond length is 1.23 Å. In the fourth O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one Fe atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Li and two Fe atoms.},

  doi          = {10.17188/1293500},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1293500

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