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Title: Materials Data on Np(SeO3)2 by Materials Project

Abstract

Np(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Np–O bond distances ranging from 2.25–2.58 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Np4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Np4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in amore » 3-coordinate geometry to two equivalent Np4+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np4+ and one Se4+ atom.« less

Publication Date:
Other Number(s):
mp-772890
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; Np(SeO3)2; Np-O-Se
OSTI Identifier:
1301528
DOI:
10.17188/1301528

Citation Formats

The Materials Project. Materials Data on Np(SeO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301528.
The Materials Project. Materials Data on Np(SeO3)2 by Materials Project. United States. doi:10.17188/1301528.
The Materials Project. 2020. "Materials Data on Np(SeO3)2 by Materials Project". United States. doi:10.17188/1301528. https://www.osti.gov/servlets/purl/1301528. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1301528,
title = {Materials Data on Np(SeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Np(SeO3)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Np4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Np–O bond distances ranging from 2.25–2.58 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. In the second Se4+ site, Se4+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np4+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Np4+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Np4+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Np4+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Np4+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Np4+ and one Se4+ atom.},
doi = {10.17188/1301528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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