Materials Data on Eu3Al2O7 by Materials Project
Eu3Al2O7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Eu–O bond distances ranging from 2.37–2.67 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to twelve O2- atoms to form EuO12 cuboctahedra that share corners with four equivalent EuO12 cuboctahedra, faces with four equivalent EuO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are four shorter (2.66 Å) and eight longer (2.69 Å) Eu–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with five equivalent AlO6 octahedra and faces with four equivalent EuO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Al–O bond distances ranging from 1.88–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four Eu+2.67+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded to five equivalent Eu+2.67+ and one Al3+ atom to form a mixture of distorted edge and corner-sharing OEu5Al octahedra. The corner-sharing octahedral tilt angles are 13°. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Eu+2.67+ and two equivalent Al3+ atoms.
- 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:
- 1726731
- Report Number(s):
- mp-1212916
- Country of Publication:
- United States
- Language:
- English
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