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Title: Materials Data on Ba3Np by Materials Project

Abstract

Ba3Np is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Np atoms to form a mixture of distorted edge, face, and corner-sharing BaBa4Np4 tetrahedra. All Ba–Ba bond lengths are 4.17 Å. All Ba–Np bond lengths are 4.17 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to eight equivalent Ba atoms. Np is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

Publication Date:
Other Number(s):
mp-1076925
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; Ba3Np; Ba-Np
OSTI Identifier:
1679540
DOI:
https://doi.org/10.17188/1679540

Citation Formats

The Materials Project. Materials Data on Ba3Np by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679540.
The Materials Project. Materials Data on Ba3Np by Materials Project. United States. doi:https://doi.org/10.17188/1679540
The Materials Project. 2020. "Materials Data on Ba3Np by Materials Project". United States. doi:https://doi.org/10.17188/1679540. https://www.osti.gov/servlets/purl/1679540. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1679540,
title = {Materials Data on Ba3Np by Materials Project},
author = {The Materials Project},
abstractNote = {Ba3Np is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to four equivalent Ba and four equivalent Np atoms to form a mixture of distorted edge, face, and corner-sharing BaBa4Np4 tetrahedra. All Ba–Ba bond lengths are 4.17 Å. All Ba–Np bond lengths are 4.17 Å. In the second Ba site, Ba is bonded in a distorted body-centered cubic geometry to eight equivalent Ba atoms. Np is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.},
doi = {10.17188/1679540},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}