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Title: Materials Data on NpI3 by Materials Project

Abstract

NpI3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpI3 sheets oriented in the (0, 1, 0) direction. Np3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Np–I bond distances ranging from 3.11–3.42 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Np3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504781
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; NpI3; I-Np
OSTI Identifier:
1262054
DOI:
10.17188/1262054

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NpI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262054.
Persson, Kristin, & Project, Materials. Materials Data on NpI3 by Materials Project. United States. doi:10.17188/1262054.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NpI3 by Materials Project". United States. doi:10.17188/1262054. https://www.osti.gov/servlets/purl/1262054. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262054,
title = {Materials Data on NpI3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NpI3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two NpI3 sheets oriented in the (0, 1, 0) direction. Np3+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Np–I bond distances ranging from 3.11–3.42 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Np3+ atoms. In the second I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Np3+ atoms.},
doi = {10.17188/1262054},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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