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Title: Materials Data on NpBeO3 by Materials Project

Abstract

BeNpO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.78 Å. Np4+ 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 BeO6 octahedra. All Np–O bond lengths are 2.52 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Np4+ atoms.

Publication Date:
Other Number(s):
mp-973930
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; NpBeO3; Be-Np-O
OSTI Identifier:
1314360
DOI:
https://doi.org/10.17188/1314360

Citation Formats

The Materials Project. Materials Data on NpBeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314360.
The Materials Project. Materials Data on NpBeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1314360
The Materials Project. 2020. "Materials Data on NpBeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1314360. https://www.osti.gov/servlets/purl/1314360. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1314360,
title = {Materials Data on NpBeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {BeNpO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be2+ is bonded to six equivalent O2- atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.78 Å. Np4+ 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 BeO6 octahedra. All Np–O bond lengths are 2.52 Å. O2- is bonded in a distorted linear geometry to two equivalent Be2+ and four equivalent Np4+ atoms.},
doi = {10.17188/1314360},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}