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Title: Materials Data on LuScO3 by Materials Project

Abstract

LuScO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.87 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Sc–O bond distances ranging from 2.09–2.15 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Sc–O bond distances ranging from 2.09–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two Sc3+ atoms to form distorted corner-sharing OLu2Sc2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and two Sc3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and two Sc3+ atoms.

Publication Date:
Other Number(s):
mp-776593
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; LuScO3; Lu-O-Sc
OSTI Identifier:
1304317
DOI:
10.17188/1304317

Citation Formats

The Materials Project. Materials Data on LuScO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304317.
The Materials Project. Materials Data on LuScO3 by Materials Project. United States. doi:10.17188/1304317.
The Materials Project. 2020. "Materials Data on LuScO3 by Materials Project". United States. doi:10.17188/1304317. https://www.osti.gov/servlets/purl/1304317. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304317,
title = {Materials Data on LuScO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LuScO3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.87 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Sc–O bond distances ranging from 2.09–2.15 Å. In the second Sc3+ site, Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Sc–O bond distances ranging from 2.09–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two Sc3+ atoms to form distorted corner-sharing OLu2Sc2 trigonal pyramids. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and two Sc3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Lu3+ and two Sc3+ atoms.},
doi = {10.17188/1304317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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