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Title: Materials Data on Eu2Sc2O5 by Materials Project

Abstract

Eu2Sc2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.46–3.09 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with four equivalent ScO6 octahedra and corners with two equivalent ScO4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Sc–O bond distances ranging from 2.08–2.20 Å. In the second Sc3+ site, Sc3+ is bonded to four O2- atoms to form ScO4 tetrahedra that share corners with two equivalent ScO6 octahedra and corners with two equivalent ScO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sc–O bond distances ranging from 1.97–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Sc3+ atoms to form distorted OEu4Sc2 octahedra that share corners with two equivalent OEu4Sc2 octahedra, corners with four equivalent OEu2Sc2 tetrahedra, edges with two equivalent OEu4Sc2 octahedra, and faces with four equivalent OEu4Sc2 octahedra. The corner-sharing octahedral tiltmore » angles are 2°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Eu2+ and two Sc3+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu2+ and two equivalent Sc3+ atoms to form distorted OEu2Sc2 tetrahedra that share corners with eight equivalent OEu4Sc2 octahedra and corners with two equivalent OEu2Sc2 tetrahedra. The corner-sharing octahedra tilt angles range from 21–82°.« less

Publication Date:
Other Number(s):
mp-1096978
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; Eu2Sc2O5; Eu-O-Sc
OSTI Identifier:
1694836
DOI:
https://doi.org/10.17188/1694836

Citation Formats

The Materials Project. Materials Data on Eu2Sc2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694836.
The Materials Project. Materials Data on Eu2Sc2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1694836
The Materials Project. 2020. "Materials Data on Eu2Sc2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1694836. https://www.osti.gov/servlets/purl/1694836. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694836,
title = {Materials Data on Eu2Sc2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Sc2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.46–3.09 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with four equivalent ScO6 octahedra and corners with two equivalent ScO4 tetrahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Sc–O bond distances ranging from 2.08–2.20 Å. In the second Sc3+ site, Sc3+ is bonded to four O2- atoms to form ScO4 tetrahedra that share corners with two equivalent ScO6 octahedra and corners with two equivalent ScO4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sc–O bond distances ranging from 1.97–2.05 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu2+ and two equivalent Sc3+ atoms to form distorted OEu4Sc2 octahedra that share corners with two equivalent OEu4Sc2 octahedra, corners with four equivalent OEu2Sc2 tetrahedra, edges with two equivalent OEu4Sc2 octahedra, and faces with four equivalent OEu4Sc2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Eu2+ and two Sc3+ atoms. In the third O2- site, O2- is bonded to two equivalent Eu2+ and two equivalent Sc3+ atoms to form distorted OEu2Sc2 tetrahedra that share corners with eight equivalent OEu4Sc2 octahedra and corners with two equivalent OEu2Sc2 tetrahedra. The corner-sharing octahedra tilt angles range from 21–82°.},
doi = {10.17188/1694836},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}