Materials Data on SrMn7O12 by Materials Project

doi:10.17188/1686555

Title: Materials Data on SrMn7O12 by Materials Project

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Abstract

SrMn7O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Sr–O bond lengths are 2.71 Å. There are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.97 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.01 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+ and three Mn+3.14+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1105343

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; SrMn7O12; Mn-O-Sr

OSTI Identifier:: 1686555

DOI:: https://doi.org/10.17188/1686555

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                    The Materials Project. Materials Data on SrMn7O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686555.

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                    The Materials Project. Materials Data on SrMn7O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686555

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                    The Materials Project. 2020.  
"Materials Data on SrMn7O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686555.  https://www.osti.gov/servlets/purl/1686555. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1686555,

  title        = {Materials Data on SrMn7O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrMn7O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share faces with eight equivalent MnO6 octahedra. All Sr–O bond lengths are 2.71 Å. There are two inequivalent Mn+3.14+ sites. In the first Mn+3.14+ site, Mn+3.14+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 1.97 Å. In the second Mn+3.14+ site, Mn+3.14+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with two equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 41°. All Mn–O bond lengths are 2.01 Å. O2- is bonded in a 3-coordinate geometry to one Sr2+ and three Mn+3.14+ atoms.},

  doi          = {10.17188/1686555},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1686555

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