Materials Data on ErInO3 by Materials Project
ErInO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are six shorter (2.33 Å) and one longer (2.48 Å) Er–O bond lengths. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.26–2.42 Å. In3+ is bonded to five O2- atoms to form corner-sharing InO5 trigonal bipyramids. There are a spread of In–O bond distances ranging from 2.11–2.15 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one In3+ atom to form a mixture of corner and edge-sharing OEr3In tetrahedra. In the second O2- site, O2- is bonded to three Er3+ and one In3+ atom to form a mixture of distorted corner and edge-sharing OEr3In tetrahedra. In the third O2- site, O2- is bonded to one Er3+ and three equivalent In3+ atoms to form distorted OErIn3 tetrahedra that share corners with twelve OErIn3 tetrahedra and edges with three equivalent OEr3In tetrahedra. In the fourth O2- site, O2- is bonded to one Er3+ and three equivalent In3+ atoms to form OErIn3 tetrahedra that share corners with twelve OErIn3 tetrahedra and edges with three equivalent OEr3In 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:
- 1301111
- Report Number(s):
- mp-772217
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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