Materials Data on Ba2MnZn2(AsO)2 by Materials Project

doi:10.17188/1193828

Title: Materials Data on Ba2MnZn2(AsO)2 by Materials Project

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Abstract

Ba2MnZn2As2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ba–As bond lengths are 3.46 Å. All Ba–O bond lengths are 2.79 Å. Mn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.14 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.61 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ 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:: 2020-07-16

Other Number(s):: mp-19045

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; Ba2MnZn2(AsO)2; As-Ba-Mn-O-Zn

OSTI Identifier:: 1193828

DOI:: https://doi.org/10.17188/1193828

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                    The Materials Project. Materials Data on Ba2MnZn2(AsO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1193828.

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                    The Materials Project. Materials Data on Ba2MnZn2(AsO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1193828

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                    The Materials Project. 2020.  
"Materials Data on Ba2MnZn2(AsO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1193828.  https://www.osti.gov/servlets/purl/1193828. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1193828,

  title        = {Materials Data on Ba2MnZn2(AsO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2MnZn2As2O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Ba–As bond lengths are 3.46 Å. All Ba–O bond lengths are 2.79 Å. Mn2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.14 Å. Zn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.61 Å. As3- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and four equivalent Zn2+ 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          = {10.17188/1193828},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1193828

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