Materials Data on Er3GaO6 by Materials Project
Er3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share a cornercorner with one GaO4 tetrahedra, edges with two equivalent ErO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.25–2.41 Å. 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 2.19–2.54 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one ErO7 pentagonal bipyramid and an edgeedge with one ErO7 pentagonal bipyramid. There is one shorter (1.85 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form distorted OEr3Ga tetrahedra that share corners with eight equivalent OEr4 tetrahedra, corners with four equivalent OEr3Ga trigonal pyramids, and edges with two equivalent OEr3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Er3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with six OEr3Ga tetrahedra, corners with six equivalent OEr3Ga trigonal pyramids, edges with three equivalent OEr4 tetrahedra, and an edgeedge with one OEr3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing OEr3Ga trigonal pyramids.
- 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:
- 1205438
- Report Number(s):
- mp-31115
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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