Materials Data on Eu2Zr2O7 by Materials Project
Eu2Zr2O7 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing EuO6 octahedra. The corner-sharing octahedral tilt angles are 71°. There are two shorter (2.30 Å) and four longer (2.35 Å) Eu–O bond lengths. In the second Eu3+ site, Eu3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Eu–O bond distances ranging from 2.25–2.37 Å. There are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.18–2.47 Å. In the second Zr4+ site, Zr4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Zr–O bond distances ranging from 2.19–2.38 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one Zr4+ atom to form a mixture of edge and corner-sharing OEu3Zr tetrahedra. In the second O2- site, O2- is bonded to four Zr4+ atoms to form OZr4 tetrahedra that share corners with sixteen OEu3Zr tetrahedra and edges with six OEu2Zr2 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form OEu2Zr2 tetrahedra that share corners with fourteen OEu3Zr tetrahedra and edges with five OZr4 tetrahedra. In the fourth O2- site, O2- is bonded to one Eu3+ and three Zr4+ atoms to form a mixture of edge and corner-sharing OEuZr3 tetrahedra. In the fifth O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Zr4+ atoms to form a mixture of edge and corner-sharing OEu2Zr2 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:
- 1282561
- Report Number(s):
- mp-675041
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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