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Title: Materials Data on Dy2YTaO7 by Materials Project

Abstract

Dy2YTaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of Dy–O bond distances ranging from 2.21–2.47 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.65 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent DyO7 pentagonal bipyramids, and edges with four equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are four shorter (1.99 Å) and two longer (2.01 Å) Ta–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Y3+, and onemore » Ta5+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing ODy2Y2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing ODy2Y2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Y3+, and one Ta5+ atom.« less

Publication Date:
Other Number(s):
mp-1225383
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; Dy2YTaO7; Dy-O-Ta-Y
OSTI Identifier:
1664346
DOI:
https://doi.org/10.17188/1664346

Citation Formats

The Materials Project. Materials Data on Dy2YTaO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1664346.
The Materials Project. Materials Data on Dy2YTaO7 by Materials Project. United States. doi:https://doi.org/10.17188/1664346
The Materials Project. 2020. "Materials Data on Dy2YTaO7 by Materials Project". United States. doi:https://doi.org/10.17188/1664346. https://www.osti.gov/servlets/purl/1664346. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1664346,
title = {Materials Data on Dy2YTaO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2YTaO7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Dy3+ is bonded to seven O2- atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent TaO6 octahedra, a cornercorner with one DyO7 pentagonal bipyramid, edges with two equivalent TaO6 octahedra, and edges with three equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of Dy–O bond distances ranging from 2.21–2.47 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.33–2.65 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with two equivalent TaO6 octahedra, corners with four equivalent DyO7 pentagonal bipyramids, and edges with four equivalent DyO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are four shorter (1.99 Å) and two longer (2.01 Å) Ta–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Y3+, and one Ta5+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing ODy2Y2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Y3+ atoms to form a mixture of edge and corner-sharing ODy2Y2 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+, one Y3+, and one Ta5+ atom.},
doi = {10.17188/1664346},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}