Materials Data on Ba2CoAg2(SeO)2 by Materials Project

doi:10.17188/1729912

Title: Materials Data on Ba2CoAg2(SeO)2 by Materials Project

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Abstract

Ba2CoAg2(SeO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ba–Se bond lengths are 3.36 Å. All Ba–O bond lengths are 2.80 Å. Co2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 2.09 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 2.78 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Co2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1078198

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; Ba2CoAg2(SeO)2; Ag-Ba-Co-O-Se

OSTI Identifier:: 1729912

DOI:: https://doi.org/10.17188/1729912

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                    The Materials Project. Materials Data on Ba2CoAg2(SeO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729912.

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                    The Materials Project. Materials Data on Ba2CoAg2(SeO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729912

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                    The Materials Project. 2020.  
"Materials Data on Ba2CoAg2(SeO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729912.  https://www.osti.gov/servlets/purl/1729912. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1729912,

  title        = {Materials Data on Ba2CoAg2(SeO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2CoAg2(SeO)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent Se2- and four equivalent O2- atoms. All Ba–Se bond lengths are 3.36 Å. All Ba–O bond lengths are 2.80 Å. Co2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 2.09 Å. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 2.78 Å. Se2- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ag1+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Co2+ atoms to form a mixture of edge, face, and corner-sharing OBa4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1729912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1729912

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