Materials Data on YSeF by Materials Project

doi:10.17188/1269178

Title: Materials Data on YSeF by Materials Project

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Abstract

YSeF crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 2-coordinate geometry to five equivalent Se2- and two equivalent F1- atoms. There are a spread of Y–Se bond distances ranging from 2.87–3.17 Å. There are one shorter (2.17 Å) and one longer (2.18 Å) Y–F bond lengths. Se2- is bonded to five equivalent Y3+ and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SeY5F3 hexagonal bipyramids. There are a spread of Se–F bond distances ranging from 3.00–3.18 Å. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Y3+ and three equivalent Se2- atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-556111

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; YSeF; F-Se-Y

OSTI Identifier:: 1269178

DOI:: https://doi.org/10.17188/1269178

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                    The Materials Project. Materials Data on YSeF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269178.

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                    The Materials Project. Materials Data on YSeF by Materials Project.  United States.  doi:https://doi.org/10.17188/1269178

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                    The Materials Project. 2020.  
"Materials Data on YSeF by Materials Project".  United States.  doi:https://doi.org/10.17188/1269178.  https://www.osti.gov/servlets/purl/1269178. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1269178,

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

  author       = {The Materials Project},

  abstractNote = {YSeF crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 2-coordinate geometry to five equivalent Se2- and two equivalent F1- atoms. There are a spread of Y–Se bond distances ranging from 2.87–3.17 Å. There are one shorter (2.17 Å) and one longer (2.18 Å) Y–F bond lengths. Se2- is bonded to five equivalent Y3+ and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing SeY5F3 hexagonal bipyramids. There are a spread of Se–F bond distances ranging from 3.00–3.18 Å. F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Y3+ and three equivalent Se2- atoms.},

  doi          = {10.17188/1269178},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1269178

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