Materials Data on Y2(OF)3 by Materials Project

doi:10.17188/1663580

Title: Materials Data on Y2(OF)3 by Materials Project

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Abstract

Y2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Y–O bond lengths are 2.37 Å. All Y–F bond lengths are 2.44 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Y–O bond lengths are 2.34 Å. All Y–F bond lengths are 2.32 Å. O is bonded in a trigonal non-coplanar geometry to three Y atoms. F is bonded in a trigonal non-coplanar geometry to three Y atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1216131

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; Y2(OF)3; F-O-Y

OSTI Identifier:: 1663580

DOI:: https://doi.org/10.17188/1663580

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                    The Materials Project. Materials Data on Y2(OF)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663580.

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                    The Materials Project. Materials Data on Y2(OF)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663580

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                    The Materials Project. 2020.  
"Materials Data on Y2(OF)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663580.  https://www.osti.gov/servlets/purl/1663580. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1663580,

  title        = {Materials Data on Y2(OF)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2(OF)3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted q6 geometry to three equivalent O and six equivalent F atoms. All Y–O bond lengths are 2.37 Å. All Y–F bond lengths are 2.44 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to six equivalent O and three equivalent F atoms. All Y–O bond lengths are 2.34 Å. All Y–F bond lengths are 2.32 Å. O is bonded in a trigonal non-coplanar geometry to three Y atoms. F is bonded in a trigonal non-coplanar geometry to three Y atoms.},

  doi          = {10.17188/1663580},

  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/10.17188/1663580

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