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Title: Materials Data on Na4Pu(MoO4)4 by Materials Project

Abstract

Na4Pu(MoO4)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent MoO4 tetrahedra and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.37 Å) Pu–O bond lengths. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Pu4+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Pu4+,more » and one Mo6+ atom.« less

Publication Date:
Other Number(s):
mp-641281
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; Na4Pu(MoO4)4; Mo-Na-O-Pu
OSTI Identifier:
1280022
DOI:
https://doi.org/10.17188/1280022

Citation Formats

The Materials Project. Materials Data on Na4Pu(MoO4)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280022.
The Materials Project. Materials Data on Na4Pu(MoO4)4 by Materials Project. United States. doi:https://doi.org/10.17188/1280022
The Materials Project. 2020. "Materials Data on Na4Pu(MoO4)4 by Materials Project". United States. doi:https://doi.org/10.17188/1280022. https://www.osti.gov/servlets/purl/1280022. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280022,
title = {Materials Data on Na4Pu(MoO4)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4Pu(MoO4)4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent MoO4 tetrahedra and edges with two equivalent NaO6 pentagonal pyramids. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. Pu4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.33 Å) and four longer (2.37 Å) Pu–O bond lengths. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six equivalent NaO6 pentagonal pyramids. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Pu4+, and one Mo6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Mo6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Pu4+, and one Mo6+ atom.},
doi = {10.17188/1280022},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}