Materials Data on Y5Sb3F by Materials Project

doi:10.17188/1744296

Title: Materials Data on Y5Sb3F by Materials Project

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Abstract

Y5Sb3F crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to five equivalent Sb and two equivalent F atoms. There are a spread of Y–Sb bond distances ranging from 3.06–3.34 Å. Both Y–F bond lengths are 2.81 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Y–Sb bond lengths are 3.21 Å. Sb is bonded in a 9-coordinate geometry to nine Y atoms. F is bonded to six equivalent Y atoms to form face-sharing FY6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1207704

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; Y5Sb3F; F-Sb-Y

OSTI Identifier:: 1744296

DOI:: https://doi.org/10.17188/1744296

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                    The Materials Project. Materials Data on Y5Sb3F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744296.

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                    The Materials Project. Materials Data on Y5Sb3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1744296

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                    The Materials Project. 2020.  
"Materials Data on Y5Sb3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1744296.  https://www.osti.gov/servlets/purl/1744296. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1744296,

  title        = {Materials Data on Y5Sb3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y5Sb3F crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to five equivalent Sb and two equivalent F atoms. There are a spread of Y–Sb bond distances ranging from 3.06–3.34 Å. Both Y–F bond lengths are 2.81 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Sb atoms. All Y–Sb bond lengths are 3.21 Å. Sb is bonded in a 9-coordinate geometry to nine Y atoms. F is bonded to six equivalent Y atoms to form face-sharing FY6 octahedra.},

  doi          = {10.17188/1744296},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1744296

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