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Title: Materials Data on ScTaO4 by Materials Project

Abstract

ScTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Sc–O bond distances ranging from 2.10–2.20 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with eight equivalent ScO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Ta–O bond distances ranging from 1.91–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Sc3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Ta5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-558781
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; ScTaO4; O-Sc-Ta
OSTI Identifier:
1270495
DOI:
10.17188/1270495

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ScTaO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270495.
Persson, Kristin, & Project, Materials. Materials Data on ScTaO4 by Materials Project. United States. doi:10.17188/1270495.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ScTaO4 by Materials Project". United States. doi:10.17188/1270495. https://www.osti.gov/servlets/purl/1270495. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1270495,
title = {Materials Data on ScTaO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ScTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Sc–O bond distances ranging from 2.10–2.20 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with eight equivalent ScO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Ta–O bond distances ranging from 1.91–2.16 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Sc3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Ta5+ atom.},
doi = {10.17188/1270495},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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