Materials Data on Ba2Mn3(SbO)2 by Materials Project

doi:10.17188/1193488

Title: Materials Data on Ba2Mn3(SbO)2 by Materials Project

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Abstract

Ba2Mn3(SbO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All Ba–Sb bond lengths are 3.65 Å. All Ba–O bond lengths are 2.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square co-planar geometry to two equivalent Sb3- and four equivalent O2- atoms. Both Mn–Sb bond lengths are 3.56 Å. All Mn–O bond lengths are 2.23 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.86 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Ba2+ and five Mn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Mn2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

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

Other Number(s):: mp-18787

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; Ba2Mn3(SbO)2; Ba-Mn-O-Sb

OSTI Identifier:: 1193488

DOI:: https://doi.org/10.17188/1193488

Citation Formats


                    The Materials Project. Materials Data on Ba2Mn3(SbO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193488.

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                    The Materials Project. Materials Data on Ba2Mn3(SbO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193488

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                    The Materials Project. 2020.  
"Materials Data on Ba2Mn3(SbO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193488.  https://www.osti.gov/servlets/purl/1193488. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1193488,

  title        = {Materials Data on Ba2Mn3(SbO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2Mn3(SbO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four equivalent O2- atoms. All Ba–Sb bond lengths are 3.65 Å. All Ba–O bond lengths are 2.83 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a square co-planar geometry to two equivalent Sb3- and four equivalent O2- atoms. Both Mn–Sb bond lengths are 3.56 Å. All Mn–O bond lengths are 2.23 Å. In the second Mn2+ site, Mn2+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.86 Å. Sb3- is bonded in a 9-coordinate geometry to four equivalent Ba2+ and five Mn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Mn2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1193488},

  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/10.17188/1193488

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