Materials Data on Dy3Bi(Ru2O7)2 by Materials Project
Dy3Bi(Ru2O7)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.49 Å. There are two inequivalent Ru4+ sites. In the first Ru4+ site, Ru4+ is bonded to six equivalent O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ru–O bond lengths are 2.02 Å. In the second Ru4+ site, Ru4+ is bonded to six O2- atoms to form corner-sharing RuO6 octahedra. The corner-sharing octahedra tilt angles range from 50–51°. All Ru–O bond lengths are 2.01 Å. Bi3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.30 Å) and six longer (2.51 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Dy3+ and one Bi3+ atom to form a mixture of corner and edge-sharing ODy3Bi tetrahedra. In the second O2- site, O2- is bonded to two equivalent Dy3+ and two Ru4+ atoms to form a mixture of distorted corner and edge-sharing ODy2Ru2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Dy3+, two equivalent Ru4+, and one Bi3+ atom.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1738323
- Report Number(s):
- mp-1225336
- Country of Publication:
- United States
- Language:
- English
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