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Title: Materials Data on Dy2(SeO4)3 by Materials Project

Abstract

Dy2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.23–2.27 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 16–28°. All Se–O bond lengths are 1.66 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There is three shorter (1.66 Å) and one longer (1.67 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In themore » fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769232
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; Dy2(SeO4)3; Dy-O-Se
OSTI Identifier:
1298677
DOI:
10.17188/1298677

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Dy2(SeO4)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298677.
Persson, Kristin, & Project, Materials. Materials Data on Dy2(SeO4)3 by Materials Project. United States. doi:10.17188/1298677.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Dy2(SeO4)3 by Materials Project". United States. doi:10.17188/1298677. https://www.osti.gov/servlets/purl/1298677. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298677,
title = {Materials Data on Dy2(SeO4)3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Dy2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Dy–O bond distances ranging from 2.23–2.27 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 16–28°. All Se–O bond lengths are 1.66 Å. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent DyO6 octahedra. The corner-sharing octahedra tilt angles range from 3–38°. There is three shorter (1.66 Å) and one longer (1.67 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Dy3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Dy3+ and one Se6+ atom.},
doi = {10.17188/1298677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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