Materials Data on LuSeO3F by Materials Project

doi:10.17188/1680586

Title: Materials Data on LuSeO3F by Materials Project

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Abstract

LuSeO3F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Lu3+ is bonded to five O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing LuO5F2 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.22–2.35 Å. There are one shorter (2.15 Å) and one longer (2.16 Å) Lu–F bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Lu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Se4+ atom. F1- is bonded in a linear geometry to two equivalent Lu3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1095437

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; LuSeO3F; F-Lu-O-Se

OSTI Identifier:: 1680586

DOI:: https://doi.org/10.17188/1680586

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                    The Materials Project. Materials Data on LuSeO3F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680586.

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                    The Materials Project. Materials Data on LuSeO3F by Materials Project.  United States.  doi:https://doi.org/10.17188/1680586

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                    The Materials Project. 2020.  
"Materials Data on LuSeO3F by Materials Project".  United States.  doi:https://doi.org/10.17188/1680586.  https://www.osti.gov/servlets/purl/1680586. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680586,

  title        = {Materials Data on LuSeO3F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuSeO3F crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Lu3+ is bonded to five O2- and two equivalent F1- atoms to form a mixture of edge and corner-sharing LuO5F2 pentagonal bipyramids. There are a spread of Lu–O bond distances ranging from 2.22–2.35 Å. There are one shorter (2.15 Å) and one longer (2.16 Å) Lu–F bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Lu3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Se4+ atom. F1- is bonded in a linear geometry to two equivalent Lu3+ atoms.},

  doi          = {10.17188/1680586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680586

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