Materials Data on FeSO8 by Materials Project

doi:10.17188/1705263

Title: Materials Data on FeSO8 by Materials Project

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Abstract

FeSO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and two FeSO6 clusters. In each FeSO6 cluster, Fe is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.70–1.97 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-1181631

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; FeSO8; Fe-O-S

OSTI Identifier:: 1705263

DOI:: https://doi.org/10.17188/1705263

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                    The Materials Project. Materials Data on FeSO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1705263.

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                    The Materials Project. Materials Data on FeSO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705263

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                    The Materials Project. 2020.  
"Materials Data on FeSO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705263.  https://www.osti.gov/servlets/purl/1705263. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1705263,

  title        = {Materials Data on FeSO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeSO6O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and two FeSO6 clusters. In each FeSO6 cluster, Fe is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.70–1.97 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.43–1.52 Å. There are six inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. In the second O site, O is bonded in a single-bond geometry to one Fe atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Fe and one S atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Fe and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.},

  doi          = {10.17188/1705263},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1705263

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