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Title: Materials Data on NaNpSeO6 by Materials Project

Abstract

NaNpSeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share a cornercorner with one NpO7 pentagonal bipyramid, an edgeedge with one NpO7 pentagonal bipyramid, and edges with two equivalent NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.28–2.53 Å. Np7+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share a cornercorner with one NaO5 square pyramid, edges with two equivalent NpO7 pentagonal bipyramids, and an edgeedge with one NaO5 square pyramid. There are a spread of Np–O bond distances ranging from 1.79–2.57 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np7+ and one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Np7+, and one Se4+more » atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Np7+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to two equivalent Na1+ atoms.« less

Publication Date:
Other Number(s):
mp-1180594
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; NaNpSeO6; Na-Np-O-Se
OSTI Identifier:
1707452
DOI:
https://doi.org/10.17188/1707452

Citation Formats

The Materials Project. Materials Data on NaNpSeO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707452.
The Materials Project. Materials Data on NaNpSeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1707452
The Materials Project. 2019. "Materials Data on NaNpSeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1707452. https://www.osti.gov/servlets/purl/1707452. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1707452,
title = {Materials Data on NaNpSeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNpSeO6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share a cornercorner with one NpO7 pentagonal bipyramid, an edgeedge with one NpO7 pentagonal bipyramid, and edges with two equivalent NaO5 square pyramids. There are a spread of Na–O bond distances ranging from 2.28–2.53 Å. Np7+ is bonded to seven O2- atoms to form distorted NpO7 pentagonal bipyramids that share a cornercorner with one NaO5 square pyramid, edges with two equivalent NpO7 pentagonal bipyramids, and an edgeedge with one NaO5 square pyramid. There are a spread of Np–O bond distances ranging from 1.79–2.57 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np7+ and one Se4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Np7+, and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+ and one Np7+ atom. In the fifth O2- site, O2- is bonded in a water-like geometry to two equivalent Na1+ atoms.},
doi = {10.17188/1707452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}