Materials Data on CeNdAl2O6 by Materials Project

doi:10.17188/1757843

Title: Materials Data on CeNdAl2O6 by Materials Project

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Abstract

NdCeAl2O6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.98 Å. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.43–2.97 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 8–19°. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1226589

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; CeNdAl2O6; Al-Ce-Nd-O

OSTI Identifier:: 1757843

DOI:: https://doi.org/10.17188/1757843

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                    The Materials Project. Materials Data on CeNdAl2O6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1757843.

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                    The Materials Project. Materials Data on CeNdAl2O6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1757843

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                    The Materials Project. 2020.  
"Materials Data on CeNdAl2O6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1757843.  https://www.osti.gov/servlets/purl/1757843. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1757843,

  title        = {Materials Data on CeNdAl2O6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdCeAl2O6 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Nd–O bond distances ranging from 2.42–2.98 Å. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.43–2.97 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 8–19°. There is four shorter (1.91 Å) and two longer (1.92 Å) Al–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Nd3+, two equivalent Ce3+, and two equivalent Al3+ atoms.},

  doi          = {10.17188/1757843},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1757843

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