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Title: Materials Data on Mg3Np by Materials Project

Abstract

Mg3Np is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six Np atoms. All Mg–Mg bond lengths are 3.17 Å. There are two shorter (3.66 Å) and four longer (3.67 Å) Mg–Np bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four Mg and four Np atoms. Both Mg–Mg bond lengths are 3.17 Å. All Mg–Np bond lengths are 3.17 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six Np atoms. There are two shorter (3.66 Å) and four longer (3.67 Å) Mg–Np bond lengths. There are two inequivalent Np sites. In the first Np site, Np is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. In the second Np site, Np is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.

Publication Date:
Other Number(s):
mp-978289
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; Mg3Np; Mg-Np
OSTI Identifier:
1315901
DOI:
https://doi.org/10.17188/1315901

Citation Formats

The Materials Project. Materials Data on Mg3Np by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1315901.
The Materials Project. Materials Data on Mg3Np by Materials Project. United States. doi:https://doi.org/10.17188/1315901
The Materials Project. 2020. "Materials Data on Mg3Np by Materials Project". United States. doi:https://doi.org/10.17188/1315901. https://www.osti.gov/servlets/purl/1315901. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1315901,
title = {Materials Data on Mg3Np by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Np is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six Np atoms. All Mg–Mg bond lengths are 3.17 Å. There are two shorter (3.66 Å) and four longer (3.67 Å) Mg–Np bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to four Mg and four Np atoms. Both Mg–Mg bond lengths are 3.17 Å. All Mg–Np bond lengths are 3.17 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six Np atoms. There are two shorter (3.66 Å) and four longer (3.67 Å) Mg–Np bond lengths. There are two inequivalent Np sites. In the first Np site, Np is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms. In the second Np site, Np is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.},
doi = {10.17188/1315901},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}