Materials Data on BaZnSO by Materials Project

doi:10.17188/1267327

Title: Materials Data on BaZnSO by Materials Project

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Abstract

BaZnOS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. There are two shorter (3.27 Å) and two longer (3.29 Å) Ba–S bond lengths. All Ba–O bond lengths are 2.89 Å. Zn2+ is bonded to two equivalent S2- and two equivalent O2- atoms to form corner-sharing ZnS2O2 tetrahedra. Both Zn–S bond lengths are 2.35 Å. Both Zn–O bond lengths are 2.01 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Zn2+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 58°.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-548469

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; BaZnSO; Ba-O-S-Zn

OSTI Identifier:: 1267327

DOI:: https://doi.org/10.17188/1267327

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                    The Materials Project. Materials Data on BaZnSO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267327.

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                    The Materials Project. Materials Data on BaZnSO by Materials Project.  United States.  doi:https://doi.org/10.17188/1267327

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                    The Materials Project. 2020.  
"Materials Data on BaZnSO by Materials Project".  United States.  doi:https://doi.org/10.17188/1267327.  https://www.osti.gov/servlets/purl/1267327. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1267327,

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

  author       = {The Materials Project},

  abstractNote = {BaZnOS crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. There are two shorter (3.27 Å) and two longer (3.29 Å) Ba–S bond lengths. All Ba–O bond lengths are 2.89 Å. Zn2+ is bonded to two equivalent S2- and two equivalent O2- atoms to form corner-sharing ZnS2O2 tetrahedra. Both Zn–S bond lengths are 2.35 Å. Both Zn–O bond lengths are 2.01 Å. S2- is bonded in a 2-coordinate geometry to four equivalent Ba2+ and two equivalent Zn2+ atoms. O2- is bonded to four equivalent Ba2+ and two equivalent Zn2+ atoms to form a mixture of distorted edge, corner, and face-sharing OBa4Zn2 octahedra. The corner-sharing octahedral tilt angles are 58°.},

  doi          = {10.17188/1267327},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1267327

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