Materials Data on NdO3 by Materials Project

doi:10.17188/1206307

Title: Materials Data on NdO3 by Materials Project

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Abstract

NdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Nd and two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the fourth O site, O is bonded in a square co-planar geometry to four equivalent Nd atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-32564

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Nd-O; NdO3; crystal structure

OSTI Identifier:: 1206307

DOI:: https://doi.org/10.17188/1206307

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                    Materials Data on NdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206307.

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                    Materials Data on NdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206307

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                    2020.  
"Materials Data on NdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206307.  https://www.osti.gov/servlets/purl/1206307. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1206307,

  title        = {Materials Data on NdO3 by Materials Project},

  
  abstractNote = {NdO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Nd–O bond distances ranging from 2.37–2.71 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a linear geometry to two equivalent Nd atoms. In the third O site, O is bonded in a 5-coordinate geometry to three equivalent Nd and two equivalent O atoms. Both O–O bond lengths are 1.84 Å. In the fourth O site, O is bonded in a square co-planar geometry to four equivalent Nd atoms.},

  doi          = {10.17188/1206307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206307

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