Materials Data on ZrSO by Materials Project

doi:10.17188/1307980

Title: Materials Data on ZrSO by Materials Project

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Abstract

ZrOS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are one shorter (2.75 Å) and four longer (2.80 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.21 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-8231

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; ZrSO; O-S-Zr

OSTI Identifier:: 1307980

DOI:: https://doi.org/10.17188/1307980

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                    The Materials Project. Materials Data on ZrSO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307980.

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                    The Materials Project. Materials Data on ZrSO by Materials Project.  United States.  doi:https://doi.org/10.17188/1307980

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                    The Materials Project. 2020.  
"Materials Data on ZrSO by Materials Project".  United States.  doi:https://doi.org/10.17188/1307980.  https://www.osti.gov/servlets/purl/1307980. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1307980,

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

  author       = {The Materials Project},

  abstractNote = {ZrOS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are one shorter (2.75 Å) and four longer (2.80 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.21 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.},

  doi          = {10.17188/1307980},

  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/10.17188/1307980

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