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Title: Materials Data on NpAs2 by Materials Project

Abstract

NpAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of Np–As bond distances ranging from 2.86–3.05 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to five equivalent Np6+ atoms to form a mixture of corner and edge-sharing AsNp5 square pyramids. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Np6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-19867
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; NpAs2; As-Np
OSTI Identifier:
1195058
DOI:
10.17188/1195058

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NpAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195058.
Persson, Kristin, & Project, Materials. Materials Data on NpAs2 by Materials Project. United States. doi:10.17188/1195058.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NpAs2 by Materials Project". United States. doi:10.17188/1195058. https://www.osti.gov/servlets/purl/1195058. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1195058,
title = {Materials Data on NpAs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NpAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Np6+ is bonded in a 9-coordinate geometry to nine As3- atoms. There are a spread of Np–As bond distances ranging from 2.86–3.05 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to five equivalent Np6+ atoms to form a mixture of corner and edge-sharing AsNp5 square pyramids. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Np6+ and four equivalent As3- atoms. All As–As bond lengths are 2.80 Å.},
doi = {10.17188/1195058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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