Materials Data on YU2S3O2 by Materials Project

doi:10.17188/1355577

Title: Materials Data on YU2S3O2 by Materials Project

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Abstract

U2YS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.97 Å. All U–O bond lengths are 2.33 Å. Y3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.70 Å) and two longer (2.74 Å) Y–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Y3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Y3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-1025436

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; YU2S3O2; O-S-U-Y

OSTI Identifier:: 1355577

DOI:: https://doi.org/10.17188/1355577

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                    The Materials Project. Materials Data on YU2S3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355577.

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                    The Materials Project. Materials Data on YU2S3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355577

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                    The Materials Project. 2020.  
"Materials Data on YU2S3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355577.  https://www.osti.gov/servlets/purl/1355577. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1355577,

  title        = {Materials Data on YU2S3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U2YS3O2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U+3.50+ is bonded in a 4-coordinate geometry to four equivalent S2- and four equivalent O2- atoms. All U–S bond lengths are 2.97 Å. All U–O bond lengths are 2.33 Å. Y3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing YS6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.70 Å) and two longer (2.74 Å) Y–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four equivalent U+3.50+ and one Y3+ atom. In the second S2- site, S2- is bonded in a square co-planar geometry to four equivalent Y3+ atoms. O2- is bonded to four equivalent U+3.50+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.},

  doi          = {10.17188/1355577},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355577

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