Materials Data on LuTa7O19 by Materials Project

doi:10.17188/1306799

Title: Materials Data on LuTa7O19 by Materials Project

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Abstract

LuTa7O19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.37 Å) and two longer (2.62 Å) Lu–O bond lengths. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Lu3+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and three equivalent Ta5+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 24 00:00:00 EDT 2017

Other Number(s):: mp-780049

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; LuTa7O19; Lu-O-Ta

OSTI Identifier:: 1306799

DOI:: https://doi.org/10.17188/1306799

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                    The Materials Project. Materials Data on LuTa7O19 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1306799.

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                    The Materials Project. Materials Data on LuTa7O19 by Materials Project.  United States.  doi:https://doi.org/10.17188/1306799

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                    The Materials Project. 2017.  
"Materials Data on LuTa7O19 by Materials Project".  United States.  doi:https://doi.org/10.17188/1306799.  https://www.osti.gov/servlets/purl/1306799. Pub date:Mon Jul 24 00:00:00 EDT 2017

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@article{osti_1306799,

  title        = {Materials Data on LuTa7O19 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuTa7O19 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.37 Å) and two longer (2.62 Å) Lu–O bond lengths. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ta–O bond distances ranging from 1.93–2.45 Å. In the second Ta5+ site, Ta5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ta–O bond lengths are 2.02 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Lu3+ and two Ta5+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ta5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and three equivalent Ta5+ atoms.},

  doi          = {10.17188/1306799},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 24 00:00:00 EDT 2017},

  month        = {Mon Jul 24 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1306799

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