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Title: Materials Data on NdNpO3 by Materials Project

Abstract

NpNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form distorted NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Np–O bond lengths are 3.18 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. 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 four equivalent Np3+ and two equivalent Nd3+ atoms.

Publication Date:
Other Number(s):
mp-1186312
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NdNpO3; Nd-Np-O
OSTI Identifier:
1680235
DOI:
https://doi.org/10.17188/1680235

Citation Formats

The Materials Project. Materials Data on NdNpO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680235.
The Materials Project. Materials Data on NdNpO3 by Materials Project. United States. doi:https://doi.org/10.17188/1680235
The Materials Project. 2020. "Materials Data on NdNpO3 by Materials Project". United States. doi:https://doi.org/10.17188/1680235. https://www.osti.gov/servlets/purl/1680235. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680235,
title = {Materials Data on NdNpO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NpNdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form distorted NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent NdO6 octahedra. All Np–O bond lengths are 3.18 Å. Nd3+ is bonded to six equivalent O2- atoms to form NdO6 octahedra that share corners with six equivalent NdO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. 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 four equivalent Np3+ and two equivalent Nd3+ atoms.},
doi = {10.17188/1680235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}