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Title: Materials Data on Dy2Cu2O5 by Materials Project

Abstract

Dy2Cu2O5 crystallizes in the orthorhombic Pnma 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 2.27–2.55 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a T-shaped geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (2.06 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form distorted ODy3Cu tetrahedra that share corners with ten ODy3Cu tetrahedra, corners with two equivalent ODy2Cu3 trigonal bipyramids, edges with three ODy3Cu tetrahedra, and an edgeedge with one ODy2Cu3 trigonal bipyramid. In the second O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form ODy3Cu tetrahedra that share corners with ten ODy3Cu tetrahedra, a cornercorner with one ODy2Cu3 trigonal bipyramid, edges with three ODy3Cu tetrahedra, and edges with two equivalent ODy2Cu3 trigonal bipyramids.more » In the third O2- site, O2- is bonded to two equivalent Dy3+ and three Cu2+ atoms to form ODy2Cu3 trigonal bipyramids that share corners with six ODy3Cu tetrahedra, corners with two equivalent ODy2Cu3 trigonal bipyramids, and edges with six ODy3Cu tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-771141
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; Dy2Cu2O5; Cu-Dy-O
OSTI Identifier:
1300325
DOI:
https://doi.org/10.17188/1300325

Citation Formats

The Materials Project. Materials Data on Dy2Cu2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300325.
The Materials Project. Materials Data on Dy2Cu2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1300325
The Materials Project. 2020. "Materials Data on Dy2Cu2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1300325. https://www.osti.gov/servlets/purl/1300325. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1300325,
title = {Materials Data on Dy2Cu2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Cu2O5 crystallizes in the orthorhombic Pnma 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 2.27–2.55 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–2.02 Å. In the second Cu2+ site, Cu2+ is bonded in a T-shaped geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (2.06 Å) Cu–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form distorted ODy3Cu tetrahedra that share corners with ten ODy3Cu tetrahedra, corners with two equivalent ODy2Cu3 trigonal bipyramids, edges with three ODy3Cu tetrahedra, and an edgeedge with one ODy2Cu3 trigonal bipyramid. In the second O2- site, O2- is bonded to three equivalent Dy3+ and one Cu2+ atom to form ODy3Cu tetrahedra that share corners with ten ODy3Cu tetrahedra, a cornercorner with one ODy2Cu3 trigonal bipyramid, edges with three ODy3Cu tetrahedra, and edges with two equivalent ODy2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Dy3+ and three Cu2+ atoms to form ODy2Cu3 trigonal bipyramids that share corners with six ODy3Cu tetrahedra, corners with two equivalent ODy2Cu3 trigonal bipyramids, and edges with six ODy3Cu tetrahedra.},
doi = {10.17188/1300325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}