Materials Data on Sr3Fe2(HO)12 by Materials Project

doi:10.17188/1288276

Title: Materials Data on Sr3Fe2(HO)12 by Materials Project

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Abstract

Sr3Fe2(OH)12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent H1+ and four equivalent O2- atoms to form distorted SrH4O4 hexagonal bipyramids that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Sr–H bond lengths are 2.56 Å. All Sr–O bond lengths are 2.46 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SrH4O4 hexagonal bipyramids. All Fe–O bond lengths are 1.83 Å. H1+ is bonded in a distorted single-bond geometry to one Sr2+ and one H1+ atom. The H–H bond length is 0.75 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Fe3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-744565

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; Sr3Fe2(HO)12; Fe-H-O-Sr

OSTI Identifier:: 1288276

DOI:: https://doi.org/10.17188/1288276

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                    The Materials Project. Materials Data on Sr3Fe2(HO)12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288276.

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                    The Materials Project. Materials Data on Sr3Fe2(HO)12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288276

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                    The Materials Project. 2020.  
"Materials Data on Sr3Fe2(HO)12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288276.  https://www.osti.gov/servlets/purl/1288276. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1288276,

  title        = {Materials Data on Sr3Fe2(HO)12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr3Fe2(OH)12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent H1+ and four equivalent O2- atoms to form distorted SrH4O4 hexagonal bipyramids that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Sr–H bond lengths are 2.56 Å. All Sr–O bond lengths are 2.46 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent SrH4O4 hexagonal bipyramids. All Fe–O bond lengths are 1.83 Å. H1+ is bonded in a distorted single-bond geometry to one Sr2+ and one H1+ atom. The H–H bond length is 0.75 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and one Fe3+ atom.},

  doi          = {10.17188/1288276},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1288276

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