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Title: Materials Data on NpIO5 by Materials Project

Abstract

NpO5I crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Np5+ is bonded to seven O2- atoms to form distorted corner-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.87–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Np5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Np5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-30279
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; NpIO5; I-Np-O
OSTI Identifier:
1204706
DOI:
https://doi.org/10.17188/1204706

Citation Formats

The Materials Project. Materials Data on NpIO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204706.
The Materials Project. Materials Data on NpIO5 by Materials Project. United States. doi:https://doi.org/10.17188/1204706
The Materials Project. 2020. "Materials Data on NpIO5 by Materials Project". United States. doi:https://doi.org/10.17188/1204706. https://www.osti.gov/servlets/purl/1204706. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204706,
title = {Materials Data on NpIO5 by Materials Project},
author = {The Materials Project},
abstractNote = {NpO5I crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Np5+ is bonded to seven O2- atoms to form distorted corner-sharing NpO7 pentagonal bipyramids. There are a spread of Np–O bond distances ranging from 1.87–2.58 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Np5+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Np5+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Np5+ and one I5+ atom. The O–I bond length is 1.83 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms.},
doi = {10.17188/1204706},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}