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Title: Materials Data on NpAlO3 by Materials Project

Abstract

NpAlO3 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 NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Np–O bond lengths are 2.66 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-1186110
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; NpAlO3; Al-Np-O
OSTI Identifier:
1707533
DOI:
https://doi.org/10.17188/1707533

Citation Formats

The Materials Project. Materials Data on NpAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707533.
The Materials Project. Materials Data on NpAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1707533
The Materials Project. 2020. "Materials Data on NpAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1707533. https://www.osti.gov/servlets/purl/1707533. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707533,
title = {Materials Data on NpAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NpAlO3 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 NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Np–O bond lengths are 2.66 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1707533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}