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Title: Materials Data on Na3NpO8 by Materials Project

Abstract

Na3NpO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.83 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.88 Å. Np is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Np–O bond distances ranging from 1.90–2.44 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to two Na, one Np, and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded to three Na and one Np atom to form a mixture of distorted edge and corner-sharing ONa3Np trigonal pyramids. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one Np atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom.

Authors:
Publication Date:
Other Number(s):
mp-1180379
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; Na3NpO8; Na-Np-O
OSTI Identifier:
1672437
DOI:
https://doi.org/10.17188/1672437

Citation Formats

The Materials Project. Materials Data on Na3NpO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672437.
The Materials Project. Materials Data on Na3NpO8 by Materials Project. United States. doi:https://doi.org/10.17188/1672437
The Materials Project. 2020. "Materials Data on Na3NpO8 by Materials Project". United States. doi:https://doi.org/10.17188/1672437. https://www.osti.gov/servlets/purl/1672437. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672437,
title = {Materials Data on Na3NpO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3NpO8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Na–O bond distances ranging from 2.40–2.83 Å. In the second Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.88 Å. Np is bonded in a distorted octahedral geometry to six O atoms. There are a spread of Np–O bond distances ranging from 1.90–2.44 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted see-saw-like geometry to two Na, one Np, and one O atom. The O–O bond length is 1.35 Å. In the second O site, O is bonded to three Na and one Np atom to form a mixture of distorted edge and corner-sharing ONa3Np trigonal pyramids. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one Np atom. In the fourth O site, O is bonded in a 4-coordinate geometry to three Na and one O atom.},
doi = {10.17188/1672437},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}