Materials Data on Sr2RuO6 by Materials Project
Sr2RuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Sr–O bond distances ranging from 2.49–2.66 Å. Ru is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.79 Å) and two longer (2.04 Å) Ru–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr, one Ru, and one O atom. The O–O bond length is 1.47 Å. In the second O site, O is bonded in a T-shaped geometry to two equivalent Sr and one Ru atom. In the third O site, O is bonded in a distorted rectangular see-saw-like geometry to three equivalent Sr and one O atom.
- 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:
- 1282772
- Report Number(s):
- mp-675618
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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