Materials Data on Dy2Cu2O5 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1300325
- Report Number(s):
- mp-771141
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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