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Title: Materials Data on Np2SO10 by Materials Project

Abstract

Np2SO10 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of four Np2SO10 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Np7+ sites. In the first Np7+ site, Np7+ is bonded to five O2- atoms to form distorted NpO5 trigonal bipyramids that share a cornercorner with one SO4 tetrahedra and corners with two equivalent NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 1.79–2.29 Å. In the second Np7+ site, Np7+ is bonded to five O2- atoms to form distorted NpO5 trigonal bipyramids that share a cornercorner with one SO4 tetrahedra and corners with two equivalent NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 1.80–2.30 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two NpO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.44–1.63 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Np7+ atoms. In the third O2- site, O2-more » is bonded in a single-bond geometry to one Np7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Np7+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom.« less

Publication Date:
Other Number(s):
mp-1180175
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; Np2SO10; Np-O-S
OSTI Identifier:
1729467
DOI:
https://doi.org/10.17188/1729467

Citation Formats

The Materials Project. Materials Data on Np2SO10 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729467.
The Materials Project. Materials Data on Np2SO10 by Materials Project. United States. doi:https://doi.org/10.17188/1729467
The Materials Project. 2019. "Materials Data on Np2SO10 by Materials Project". United States. doi:https://doi.org/10.17188/1729467. https://www.osti.gov/servlets/purl/1729467. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1729467,
title = {Materials Data on Np2SO10 by Materials Project},
author = {The Materials Project},
abstractNote = {Np2SO10 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of four Np2SO10 ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Np7+ sites. In the first Np7+ site, Np7+ is bonded to five O2- atoms to form distorted NpO5 trigonal bipyramids that share a cornercorner with one SO4 tetrahedra and corners with two equivalent NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 1.79–2.29 Å. In the second Np7+ site, Np7+ is bonded to five O2- atoms to form distorted NpO5 trigonal bipyramids that share a cornercorner with one SO4 tetrahedra and corners with two equivalent NpO5 trigonal bipyramids. There are a spread of Np–O bond distances ranging from 1.80–2.30 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with two NpO5 trigonal bipyramids. There are a spread of S–O bond distances ranging from 1.44–1.63 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Np7+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Np7+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one S6+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np7+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Np7+ atom.},
doi = {10.17188/1729467},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}