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Title: Materials Data on Dy2TiCuO6 by Materials Project

Abstract

Dy2TiCuO6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.20–2.57 Å. Ti4+ is bonded to five O2- atoms to form corner-sharing TiO5 trigonal bipyramids. There is two shorter (1.87 Å) and three longer (2.10 Å) Ti–O bond length. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 trigonal bipyramids. There are two shorter (1.92 Å) and three longer (2.10 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Dy3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form ODy3Cu tetrahedra that share corners with seven equivalent ODy3Cu tetrahedra and edges with three equivalent ODy2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and three equivalent Cu2+ atoms to form ODy2Cu3 trigonal bipyramids that share corners with six equivalent ODy2Cu3 trigonal bipyramidsmore » and edges with six equivalent ODy3Cu tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1225458
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; Dy2TiCuO6; Cu-Dy-O-Ti
OSTI Identifier:
1732459
DOI:
https://doi.org/10.17188/1732459

Citation Formats

The Materials Project. Materials Data on Dy2TiCuO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732459.
The Materials Project. Materials Data on Dy2TiCuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1732459
The Materials Project. 2019. "Materials Data on Dy2TiCuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1732459. https://www.osti.gov/servlets/purl/1732459. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1732459,
title = {Materials Data on Dy2TiCuO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2TiCuO6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.20–2.57 Å. Ti4+ is bonded to five O2- atoms to form corner-sharing TiO5 trigonal bipyramids. There is two shorter (1.87 Å) and three longer (2.10 Å) Ti–O bond length. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 trigonal bipyramids. There are two shorter (1.92 Å) and three longer (2.10 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Dy3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form ODy3Cu tetrahedra that share corners with seven equivalent ODy3Cu tetrahedra and edges with three equivalent ODy2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Dy3+ and three equivalent Cu2+ atoms to form ODy2Cu3 trigonal bipyramids that share corners with six equivalent ODy2Cu3 trigonal bipyramids and edges with six equivalent ODy3Cu tetrahedra.},
doi = {10.17188/1732459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}