Materials Data on Nd2O3 by Materials Project

doi:10.17188/1187129

Title: Materials Data on Nd2O3 by Materials Project

Dataset
Other Related Research

Abstract

Nd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Nd–O bond distances ranging from 2.37–2.47 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Nd–O bond lengths are 2.41 Å. O2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1045

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; Nd2O3; Nd-O

OSTI Identifier:: 1187129

DOI:: https://doi.org/10.17188/1187129

Citation Formats


                    The Materials Project. Materials Data on Nd2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187129.

Copy to clipboard


                    The Materials Project. Materials Data on Nd2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187129

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Nd2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187129.  https://www.osti.gov/servlets/purl/1187129. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1187129,

  title        = {Materials Data on Nd2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Nd–O bond distances ranging from 2.37–2.47 Å. In the second Nd3+ site, Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Nd–O bond lengths are 2.41 Å. O2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 trigonal pyramids.},

  doi          = {10.17188/1187129},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1187129

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Nd2O3 by Materials Project

Dataset The Materials Project

Nd2O3 is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one neodimio molecule and one NdO3 framework. In the NdO3 framework, Nd3+ is bonded to six equivalent O2- atoms to form corner-sharing NdO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–O bond lengths are 2.25 Å. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms.
Materials Data on Nd2O3 by Materials Project

Dataset The Materials Project

Nd2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.32–2.70 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with six equivalent ONd6 octahedra, corners with six equivalent ONd4 tetrahedra, edges with three equivalent ONd6 octahedra, and edges with three equivalent ONd4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°. In the second O2- site, O2- ismore »« less
Materials Data on Nd2O3 by Materials Project

Dataset The Materials Project

Nd2O3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd3+ is bonded to six equivalent O2- atoms to form a mixture of distorted face, edge, and corner-sharing NdO6 pentagonal pyramids. All Nd–O bond lengths are 2.41 Å. O2- is bonded in a square co-planar geometry to four equivalent Nd3+ atoms.
Materials Data on Nd2O3 by Materials Project

Dataset The Materials Project

Nd2O3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.77 Å. In the second Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.83 Å. In the third Nd3+ site, Nd3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing NdO6 octahedra. The corner-sharing octahedralmore »« less
Materials Data on Nd2O3 by Materials Project

Dataset The Materials Project

Nd2O3 crystallizes in the orthorhombic Pmmm space group. The structure is two-dimensional and consists of one NdO ribbon oriented in the (0, 1, 0) direction and one NdO2 sheet oriented in the (0, 0, 1) direction. In the NdO ribbon, Nd3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Nd–O bond lengths are 2.29 Å. O2- is bonded in a linear geometry to two equivalent Nd3+ atoms. In the NdO2 sheet, Nd3+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.24 Å) and two longer (2.29 Å) Nd–O bondmore »« less

Similar Records