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Title: Materials Data on Dy3TaO7 by Materials Project

Abstract

Dy3TaO7 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two shorter (2.28 Å) and four longer (2.29 Å) Dy–O bond lengths. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.09–2.56 Å. Ta5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.16 Å) and four longer (2.19 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy4 tetrahedra and edges with four equivalent ODy3Ta tetrahedra. In the second O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form a mixture of distorted corner and edge-sharing ODy3Ta tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms.

Publication Date:
Other Number(s):
mp-1173044
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; Dy3TaO7; Dy-O-Ta
OSTI Identifier:
1744254
DOI:
https://doi.org/10.17188/1744254

Citation Formats

The Materials Project. Materials Data on Dy3TaO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744254.
The Materials Project. Materials Data on Dy3TaO7 by Materials Project. United States. doi:https://doi.org/10.17188/1744254
The Materials Project. 2020. "Materials Data on Dy3TaO7 by Materials Project". United States. doi:https://doi.org/10.17188/1744254. https://www.osti.gov/servlets/purl/1744254. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744254,
title = {Materials Data on Dy3TaO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy3TaO7 crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two shorter (2.28 Å) and four longer (2.29 Å) Dy–O bond lengths. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.09–2.56 Å. Ta5+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.16 Å) and four longer (2.19 Å) Ta–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy4 tetrahedra and edges with four equivalent ODy3Ta tetrahedra. In the second O2- site, O2- is bonded to three Dy3+ and one Ta5+ atom to form a mixture of distorted corner and edge-sharing ODy3Ta tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1744254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}