Materials Data on NdO2 by Materials Project

doi:10.17188/1289339

Title: Materials Data on NdO2 by Materials Project

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Abstract

NdO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.33–2.39 Å. In the second Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.35–2.40 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the second O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the third O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-754317

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; NdO2; Nd-O

OSTI Identifier:: 1289339

DOI:: https://doi.org/10.17188/1289339

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                    The Materials Project. Materials Data on NdO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289339.

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                    The Materials Project. Materials Data on NdO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289339

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                    The Materials Project. 2020.  
"Materials Data on NdO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289339.  https://www.osti.gov/servlets/purl/1289339. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1289339,

  title        = {Materials Data on NdO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.33–2.39 Å. In the second Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.35–2.40 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the second O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the third O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Nd atoms.},

  doi          = {10.17188/1289339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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Materials Data on NdO2 by Materials Project

Dataset The Materials Project

NdO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.72 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra. In the second O site, O is bonded in a 5-coordinate geometry to four equivalent Nd and one O atom. The O–O bond length is 1.51 Å.
Materials Data on NdO2 by Materials Project

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NdO2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Nd–O bond lengths are 2.46 Å. O is bonded to four equivalent Nd atoms to form a mixture of edge and corner-sharing ONd4 tetrahedra.
Materials Data on NdO2 by Materials Project

Dataset The Materials Project

NdO2 is Baddeleyite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd is bonded to seven O atoms to form a mixture of distorted corner and edge-sharing NdO7 pentagonal bipyramids. There are a spread of Nd–O bond distances ranging from 2.37–2.48 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three equivalent Nd atoms. In the second O site, O is bonded to four equivalent Nd atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.
Materials Data on NdO2 by Materials Project

Dataset The Materials Project

NdO2 is Hydrophilite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd is bonded to six O atoms to form a mixture of edge and corner-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–54°. There are two shorter (2.36 Å) and four longer (2.38 Å) Nd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Nd atoms.
Materials Data on NdO2 by Materials Project

Dataset The Materials Project

NdO2 is Fluorite-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.46 Å) and four longer (2.47 Å) Nd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Nd atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra. In the second O site, O is bonded to four equivalent Nd atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

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