Materials Data on DyHoO3 by Materials Project
HoDyO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. Ho3+ is bonded to five O2- atoms to form corner-sharing HoO5 trigonal bipyramids. There are a spread of Ho–O bond distances ranging from 2.17–2.22 Å. There are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.35–2.69 Å. In the second Dy3+ site, Dy3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Dy–O bond distances ranging from 2.30–2.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three Dy3+ atoms to form ODy3Ho tetrahedra that share corners with twelve ODyHo3 tetrahedra, edges with three equivalent ODy3Ho tetrahedra, and edges with two equivalent ODyHo3 trigonal pyramids. In the second O2- site, O2- is bonded to one Ho3+ and three Dy3+ atoms to form distorted ODy3Ho tetrahedra that share corners with ten ODy3Ho tetrahedra, corners with four equivalent ODyHo3 trigonal pyramids, and edges with four ODyHo3 tetrahedra. In the third O2- site, O2- is bonded to three equivalent Ho3+ and one Dy3+ atom to form distorted ODyHo3 trigonal pyramids that share corners with nine ODyHo3 tetrahedra, corners with three equivalent ODyHo3 trigonal pyramids, and edges with three equivalent ODy3Ho tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Ho3+ and one Dy3+ atom to form distorted ODyHo3 tetrahedra that share corners with six equivalent ODy3Ho tetrahedra, corners with six equivalent ODyHo3 trigonal pyramids, and edges with three equivalent ODy3Ho 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:
- 1298230
- Report Number(s):
- mp-768145
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on DyInO3 by Materials Project
Materials Data on DyErO3 by Materials Project