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Title: Materials Data on EuDyTi2O7 by Materials Project

Abstract

DyEuTi2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy3+ is bonded to eight O2- atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent DyO8 hexagonal bipyramids, edges with four equivalent EuO8 hexagonal bipyramids, and edges with six TiO6 octahedra. There are a spread of Dy–O bond distances ranging from 2.19–2.53 Å. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with two equivalent EuO8 hexagonal bipyramids, edges with four equivalent DyO8 hexagonal bipyramids, and edges with six TiO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.25–2.55 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent EuO8 hexagonal bipyramids, and edges with four equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–48°. All Ti–O bond lengths are 1.98 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent DyO8 hexagonal bipyramids, and edges with four equivalentmore » EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Ti–O bond lengths are 1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Dy3+, one Eu3+, and two Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Eu3+ atoms to form corner-sharing OEu2Dy2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1225188
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; EuDyTi2O7; Dy-Eu-O-Ti
OSTI Identifier:
1705993
DOI:
https://doi.org/10.17188/1705993

Citation Formats

The Materials Project. Materials Data on EuDyTi2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705993.
The Materials Project. Materials Data on EuDyTi2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1705993
The Materials Project. 2020. "Materials Data on EuDyTi2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1705993. https://www.osti.gov/servlets/purl/1705993. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1705993,
title = {Materials Data on EuDyTi2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {DyEuTi2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy3+ is bonded to eight O2- atoms to form distorted DyO8 hexagonal bipyramids that share edges with two equivalent DyO8 hexagonal bipyramids, edges with four equivalent EuO8 hexagonal bipyramids, and edges with six TiO6 octahedra. There are a spread of Dy–O bond distances ranging from 2.19–2.53 Å. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with two equivalent EuO8 hexagonal bipyramids, edges with four equivalent DyO8 hexagonal bipyramids, and edges with six TiO6 octahedra. There are a spread of Eu–O bond distances ranging from 2.25–2.55 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent EuO8 hexagonal bipyramids, and edges with four equivalent DyO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 47–48°. All Ti–O bond lengths are 1.98 Å. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six TiO6 octahedra, edges with two equivalent DyO8 hexagonal bipyramids, and edges with four equivalent EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 47°. All Ti–O bond lengths are 1.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent Ti4+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ti4+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Dy3+, one Eu3+, and two Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Eu3+ atoms to form corner-sharing OEu2Dy2 tetrahedra.},
doi = {10.17188/1705993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}