Materials Data on NdAl11O18 by Materials Project

doi:10.17188/1290701

Title: Materials Data on NdAl11O18 by Materials Project

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Abstract

NdAl11O18 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.22 Å) and two longer (2.42 Å) Nd–O bond lengths. There are six inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.52–2.50 Å. In the second Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.55–2.35 Å. In the third Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.57–2.56 Å. In the fourth Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.53–2.34 Å. In the fifth Al3+ site, Al3+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.59–2.04 Å. In the sixth Al3+ site, Al3+ is bonded in a 5-coordinate geometry to fivemore »« less

Authors:: The Materials Project

Publication Date:: 2019-10-22

Other Number(s):: mp-757092

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; NdAl11O18; Al-Nd-O

OSTI Identifier:: 1290701

DOI:: https://doi.org/10.17188/1290701

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                    The Materials Project. Materials Data on NdAl11O18 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1290701.

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                    The Materials Project. Materials Data on NdAl11O18 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290701

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                    The Materials Project. 2019.  
"Materials Data on NdAl11O18 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290701.  https://www.osti.gov/servlets/purl/1290701. Pub date:Tue Oct 22 00:00:00 EDT 2019

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@article{osti_1290701,

  title        = {Materials Data on NdAl11O18 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdAl11O18 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Nd3+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.22 Å) and two longer (2.42 Å) Nd–O bond lengths. There are six inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.52–2.50 Å. In the second Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.55–2.35 Å. In the third Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.57–2.56 Å. In the fourth Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.53–2.34 Å. In the fifth Al3+ site, Al3+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of Al–O bond distances ranging from 1.59–2.04 Å. In the sixth Al3+ site, Al3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Al–O bond distances ranging from 1.51–2.17 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Nd3+ and three Al3+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to four Al3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to four Al3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Al3+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Nd3+ and two equivalent Al3+ atoms. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to four Al3+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three Al3+ atoms.},

  doi          = {10.17188/1290701},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {10}

}

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DOI: https://doi.org/10.17188/1290701

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