skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Np2O5 by Materials Project

Abstract

Np2O5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Np5+ sites. In the first Np5+ site, Np5+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share corners with four equivalent NpO6 octahedra, edges with two equivalent NpO6 octahedra, and edges with two equivalent NpO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–37°. There are a spread of Np–O bond distances ranging from 1.92–2.59 Å. In the second Np5+ site, Np5+ is bonded to six O2- atoms to form NpO6 octahedra that share corners with two equivalent NpO6 octahedra, corners with four NpO7 pentagonal bipyramids, and edges with two NpO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Np–O bond distances ranging from 2.02–2.28 Å. In the third Np5+ site, Np5+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share corners with four equivalent NpO6 octahedra, edges with two equivalent NpO6 octahedra, and edges with two equivalent NpO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–37°. There are a spread of Np–O bond distances ranging from 1.91–2.59 Å. There are six inequivalent O2- sites.more » In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two Np5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Np5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Np5+ atoms.« less

Publication Date:
Other Number(s):
mp-554714
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; Np2O5; Np-O
OSTI Identifier:
1268058
DOI:
10.17188/1268058

Citation Formats

The Materials Project. Materials Data on Np2O5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1268058.
The Materials Project. Materials Data on Np2O5 by Materials Project. United States. doi:10.17188/1268058.
The Materials Project. 2019. "Materials Data on Np2O5 by Materials Project". United States. doi:10.17188/1268058. https://www.osti.gov/servlets/purl/1268058. Pub date:Tue Jun 04 00:00:00 EDT 2019
@article{osti_1268058,
title = {Materials Data on Np2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Np2O5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Np5+ sites. In the first Np5+ site, Np5+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share corners with four equivalent NpO6 octahedra, edges with two equivalent NpO6 octahedra, and edges with two equivalent NpO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–37°. There are a spread of Np–O bond distances ranging from 1.92–2.59 Å. In the second Np5+ site, Np5+ is bonded to six O2- atoms to form NpO6 octahedra that share corners with two equivalent NpO6 octahedra, corners with four NpO7 pentagonal bipyramids, and edges with two NpO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Np–O bond distances ranging from 2.02–2.28 Å. In the third Np5+ site, Np5+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share corners with four equivalent NpO6 octahedra, edges with two equivalent NpO6 octahedra, and edges with two equivalent NpO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–37°. There are a spread of Np–O bond distances ranging from 1.91–2.59 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two Np5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Np5+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Np5+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Np5+ atoms.},
doi = {10.17188/1268058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {6}
}

Dataset:

Save / Share: