Materials Data on LuAlO3 by Materials Project

doi:10.17188/1290640

Title: Materials Data on LuAlO3 by Materials Project

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Abstract

LuAlO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.60 Å. In the second Lu3+ site, Lu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.75–1.80 Å. In the second Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Lu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to three Lu3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OLu3Al tetrahedra. Inmore »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-756850

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; LuAlO3; Al-Lu-O

OSTI Identifier:: 1290640

DOI:: https://doi.org/10.17188/1290640

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                    The Materials Project. Materials Data on LuAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290640.

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                    The Materials Project. Materials Data on LuAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290640

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                    The Materials Project. 2020.  
"Materials Data on LuAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290640.  https://www.osti.gov/servlets/purl/1290640. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1290640,

  title        = {Materials Data on LuAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LuAlO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.60 Å. In the second Lu3+ site, Lu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.75–1.80 Å. In the second Al3+ site, Al3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.78 Å) and two longer (1.79 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Lu3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to three Lu3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OLu3Al tetrahedra. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Lu3+ and two Al3+ atoms. In the fourth O2- site, O2- is bonded to three Lu3+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OLu3Al tetrahedra.},

  doi          = {10.17188/1290640},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290640

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